2-Phenylbenzimidazole
PubChem CID: 12855
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| Compound Synonyms | 2-Phenylbenzimidazole, 716-79-0, 2-Phenyl-1H-benzimidazole, 2-phenyl-1H-benzo[d]imidazole, Phenizidole, Phenzidol, Phenzidole, Gainex, 2-Phenylbenzimdazole, 1H-Benzimidazole, 2-phenyl-, BENZIMIDAZOLE, 2-PHENYL-, 2-Phenyl-1H-benzoimidazole, NSC 251956, EINECS 211-939-2, CB9ZJ140SB, MFCD00005592, BRN 0007087, 2-phenyl-1H-1,3-benzodiazole, DTXSID5052460, NSC-251956, DTXCID2031033, 5-23-08-00437 (Beilstein Handbook Reference), N,N'-BENZENYL-O-PHENYLENEDIAMINE, 2-PHENYL-1H-BENZIMIDAZOLE [MI], 2-phenyl-1H-benzo(d)imidazole, 34535-90-5, UNII-CB9ZJ140SB, phenylbenzimidazole, phenyl benzimidazole, 2-phenyl benzimidazole, 2-phenyl-benzimidazole, 1H-Benzimidazole, phenyl-, 2-Phenylbenzimidazole, 97%, cid_12855, MLS000701325, BIDD:GT0186, SCHEMBL105095, BDBM3789, CHEMBL153535, HMS1728H19, HMS2235H23, HMS3372F02, ALBB-033235, BCP27606, Tox21_303711, BBL000186, g 570, NSC251956, STK227880, AKOS000275572, AC-7237, CS-W010651, NCGC00247174-01, NCGC00357026-01, AS-11952, CAS-716-79-0, SMR000526282, SY005301, NS00005205, P1105, EN300-16230, O10849, AB00876270-08, AF-407/01228019, BRD-K90551865-001-05-1, Q27275387, Z50129842, F0853-0315, 211-939-2 |
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| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CC3CCCCC3C2)CC1 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | cccccc6))cncc[nH]5)cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzimidazoles |
| Scaffold Graph Node Level | C1CCC(C2NC3CCCCC3N2)CC1 |
| Classyfire Subclass | Phenylbenzimidazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-1H-benzimidazole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10N2 |
| Scaffold Graph Node Bond Level | c1ccc(-c2nc3ccccc3[nH]2)cc1 |
| Inchi Key | DWYHDSLIWMUSOO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-phenyl-1h-benzimidazole |
| Esol Class | Soluble |
| Functional Groups | c[nH]c, cnc |
| Compound Name | 2-Phenylbenzimidazole |
| Exact Mass | 194.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 194.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15) |
| Smiles | C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Reference:ISBN:9770972795006