3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid

C85H68N10O7 — CID 157085722

IUPAC3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid
SMILESCc1ccccc1-c1ccc(-c2cc(C(=O)O)c3c(c2)ncn3C)cc1.Cc1ccccc1-c1ccc(-c2cc(C(N)=O)c3c(c2)ncn3C)cc1.Cn1cnc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c21.Cn1nc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c2n1
InChIInChI=1S/C22H19N3O.C22H18N2O2.C21H16N2O2.C20H15N3O2/c1-14-5-3-4-6-18(14)16-9-7-15(8-10-16)17-11-19(22(23)26)21-20(12-17)24-13-25(21)2;1-14-5-3-4-6-18(14)16-9-7-15(8-10-16)17-11-19(22(25)26)21-20(12-17)23-13-24(21)2;1-23-13-22-19-12-17(11-18(20(19)23)21(24)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-23-21-18-12-16(11-17(20(24)25)19(18)22-23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h3-13H,1-2H3,(H2,23,26);3-13H,1-2H3,(H,25,26);2-13H,1H3,(H,24,25);2-12H,1H3,(H,24,25)
InChIKeyAEBIIMJELFRNJH-UHFFFAOYSA-N
MW1341.54 g/mol
LogP17.83
Rot. Bonds12

About 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid

3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid (PubChem CID 157085722) has the molecular formula C85H68N10O7 and a molecular weight of 1341.54 g/mol. Its IUPAC name is 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid
PubChem CID157085722
Molecular FormulaC85H68N10O7
Molecular Weight1341.54 g/mol
Exact Mass1340.53
IUPAC Name3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid
SMILESCc1ccccc1-c1ccc(-c2cc(C(=O)O)c3c(c2)ncn3C)cc1.Cc1ccccc1-c1ccc(-c2cc(C(N)=O)c3c(c2)ncn3C)cc1.Cn1cnc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c21.Cn1nc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c2n1
InChIInChI=1S/C22H19N3O.C22H18N2O2.C21H16N2O2.C20H15N3O2/c1-14-5-3-4-6-18(14)16-9-7-15(8-10-16)17-11-19(22(23)26)21-20(12-17)24-13-25(21)2;1-14-5-3-4-6-18(14)16-9-7-15(8-10-16)17-11-19(22(25)26)21-20(12-17)23-13-24(21)2;1-23-13-22-19-12-17(11-18(20(19)23)21(24)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-23-21-18-12-16(11-17(20(24)25)19(18)22-23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h3-13H,1-2H3,(H2,23,26);3-13H,1-2H3,(H,25,26);2-13H,1H3,(H,24,25);2-12H,1H3,(H,24,25)
InChIKeyAEBIIMJELFRNJH-UHFFFAOYSA-N
XLogP17.83
TPSA239.16 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.54
LogP ≤ 517.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid with MolForge

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Related Compounds

2-[4-[[4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 46927844
2-[5-[[4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-pentylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 127053315
2-[4-[[6-(Benzylcarbamoyl)-2-butyl-4-methylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155515802
2-[4-[[6-(Benzylcarbamoyl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155527903
2-[4-[[2,4-Dimethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 46927776
2-[4-[[2-Ethyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 46927843
2-[4-[[2-Butyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 46927845
2-[4-[[4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-pentylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 46927846
2-[4-[[5-(1-Butylbenzimidazol-2-yl)-2-propylindazol-3-yl]methyl]phenyl]benzoic acid
CID 76310610
2-[5-[[2-Butyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 127053314
2-[4-[[2-Butyl-4-methyl-6-(phenylcarbamoyl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155519387
2-butyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355266

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid?
The IUPAC name of 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid (CID 157085722) is 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid is Cc1ccccc1-c1ccc(-c2cc(C(=O)O)c3c(c2)ncn3C)cc1.Cc1ccccc1-c1ccc(-c2cc(C(N)=O)c3c(c2)ncn3C)cc1.Cn1cnc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c21.Cn1nc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c2n1.
What is the InChIKey of 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid?
The InChIKey is AEBIIMJELFRNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O.C22H18N2O2.C21H16N2O2.C20H15N3O2/c1-14-5-3-4-6-18(14)16-9-7-15(8-10-16)17-11-19(22(23)26)21-20(12-17)24-13-25(21)2;1-14-5-3-4-6-18(14)16-9-7-15(8-10-16)17-11-19(22(25)26)21-20(12-17)23-13-24(21)2;1-23-13-22-19-12-17(11-18(20(19)23)21(24)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-23-21-18-12-16(11-17(20(24)25)19(18)22-23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h3-13H,1-2H3,(H2,23,26);3-13H,1-2H3,(H,25,26);2-13H,1H3,(H,24,25);2-12H,1H3,(H,24,25).
What are the key properties of 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid?
3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid has a molecular weight of 1341.54 g/mol, XLogP of 17.83, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxamide;3-methyl-6-[4-(2-methylphenyl)phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid;2-methyl-6-(4-phenylphenyl)benzotriazole-4-carboxylic acid is sourced from PubChem (CID 157085722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).