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Kealiinine C

PubChem CID: 23248791

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Compound Synonyms Kealiinine C, 5,6,7-trimethoxy-4-(4-methoxyphenyl)-1-methylbenzo[f]benzimidazol-2-amine, 5,6,7-trimethoxy-4-(4-methoxyphenyl)-1-methylbenzo(f)benzimidazol-2-amine, MLS003874755, CHEMBL2441626, SCHEMBL18695172, SMR002531510
Topological Polar Surface Area 80.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 29.0
Isotope Atom Count 0.0
Molecular Complexity 544.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,6,7-trimethoxy-4-(4-methoxyphenyl)-1-methylbenzo[f]benzimidazol-2-amine
Prediction Hob 1.0
Xlogp 3.9
Molecular Formula C22H23N3O4
Prediction Swissadme 0.0
Inchi Key LFZBJMWIAAPZLM-UHFFFAOYSA-N
Fcsp3 0.2272727272727272
Logs -3.716
Rotatable Bond Count 5.0
Logd 3.242
Compound Name Kealiinine C
Prediction Hob Swissadme 0.0
Exact Mass 393.169
Formal Charge 0.0
Monoisotopic Mass 393.169
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 393.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.584174186206897
Inchi InChI=1S/C22H23N3O4/c1-25-15-10-13-11-16(27-3)20(28-4)21(29-5)18(13)17(19(15)24-22(25)23)12-6-8-14(26-2)9-7-12/h6-11H,1-5H3,(H2,23,24)
Smiles CN1C2=C(C(=C3C(=C2)C=C(C(=C3OC)OC)OC)C4=CC=C(C=C4)OC)N=C1N
Nring 4.0
Defined Bond Stereocenter Count 0.0