4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate

C106H82N16O11 — CID 158812588

IUPAC4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate
SMILESC.COC(=O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.COc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.N#Cc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.O=C(Nc1cccc(-n2cnc3ccccc32)c1)c1ccc(O)cc1.O=C(O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C22H17N3O3.C21H14N4O.C21H15N3O3.C21H17N3O2.C20H15N3O2.CH4/c1-28-22(27)16-11-9-15(10-12-16)21(26)24-17-5-4-6-18(13-17)25-14-23-19-7-2-3-8-20(19)25;22-13-15-8-10-16(11-9-15)21(26)24-17-4-3-5-18(12-17)25-14-23-19-6-1-2-7-20(19)25;25-20(14-8-10-15(11-9-14)21(26)27)23-16-4-3-5-17(12-16)24-13-22-18-6-1-2-7-19(18)24;1-26-18-11-9-15(10-12-18)21(25)23-16-5-4-6-17(13-16)24-14-22-19-7-2-3-8-20(19)24;24-17-10-8-14(9-11-17)20(25)22-15-4-3-5-16(12-15)23-13-21-18-6-1-2-7-19(18)23;/h2-14H,1H3,(H,24,26);1-12,14H,(H,24,26);1-13H,(H,23,25)(H,26,27);2-14H,1H3,(H,23,25);1-13,24H,(H,22,25);1H4
InChIKeyIUWISRJZYKPDPT-UHFFFAOYSA-N
MW1755.92 g/mol
LogP21.10
Rot. Bonds18

About 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate

4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate (PubChem CID 158812588) has the molecular formula C106H82N16O11 and a molecular weight of 1755.92 g/mol. Its IUPAC name is 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Name4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate
PubChem CID158812588
Molecular FormulaC106H82N16O11
Molecular Weight1755.92 g/mol
Exact Mass1754.63
IUPAC Name4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate
SMILESC.COC(=O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.COc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.N#Cc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.O=C(Nc1cccc(-n2cnc3ccccc32)c1)c1ccc(O)cc1.O=C(O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C22H17N3O3.C21H14N4O.C21H15N3O3.C21H17N3O2.C20H15N3O2.CH4/c1-28-22(27)16-11-9-15(10-12-16)21(26)24-17-5-4-6-18(13-17)25-14-23-19-7-2-3-8-20(19)25;22-13-15-8-10-16(11-9-15)21(26)24-17-4-3-5-18(12-17)25-14-23-19-6-1-2-7-20(19)25;25-20(14-8-10-15(11-9-14)21(26)27)23-16-4-3-5-17(12-16)24-13-22-18-6-1-2-7-19(18)24;1-26-18-11-9-15(10-12-18)21(25)23-16-5-4-6-17(13-16)24-14-22-19-7-2-3-8-20(19)24;24-17-10-8-14(9-11-17)20(25)22-15-4-3-5-16(12-15)23-13-21-18-6-1-2-7-19(18)23;/h2-14H,1H3,(H,24,26);1-12,14H,(H,24,26);1-13H,(H,23,25)(H,26,27);2-14H,1H3,(H,23,25);1-13,24H,(H,22,25);1H4
InChIKeyIUWISRJZYKPDPT-UHFFFAOYSA-N
XLogP21.10
TPSA351.45 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001755.92
LogP ≤ 521.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
CID 157123721
6-[4-(Benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carbonitrile;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylic acid;6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalen-2-ol;methane;1-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]benzimidazole;methyl 6-[4-(benzimidazol-1-ylmethyl)phenyl]naphthalene-2-carboxylate
CID 157160954
4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyano-3-methoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-3,4-dimethoxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate
CID 157211848
4-[[3-(benzimidazol-1-yl)benzoyl]amino]benzoic acid;3-(benzimidazol-1-yl)-N-(4-cyanophenyl)benzamide;3-(benzimidazol-1-yl)-N-(4-hydroxyphenyl)benzamide;3-(benzimidazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 157228031
3-butyl-4-hydroxy-1H-pyrimido[1,2-a]benzimidazol-2-one;3-ethyl-4-hydroxy-1H-pyrimido[1,2-a]benzimidazol-2-one;2-(methoxymethyl)-1H-pyrimido[1,2-a]benzimidazol-4-one;2-(4-methoxyphenyl)-1H-pyrimido[1,2-a]benzimidazol-4-one;3-(4-oxo-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-3-yl)propanenitrile
CID 157524719
4-[[3-(benzimidazol-1-yl)phenyl]methylamino]benzoic acid;4-[[3-(benzimidazol-1-yl)phenyl]methylamino]benzonitrile;4-[[3-(benzimidazol-1-yl)phenyl]methylamino]phenol;N-[[3-(benzimidazol-1-yl)phenyl]methyl]-4-methoxyaniline;methyl 4-[[3-(benzimidazol-1-yl)phenyl]methylamino]benzoate
CID 157613278
4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-imidazol-1-ylbenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-imidazol-1-yl-3-methoxybenzamide;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]-2-methoxybenzoate
CID 157642409
6-[3-(Benzimidazol-1-yl)phenyl]naphthalene-2-carbonitrile;6-[3-(benzimidazol-1-yl)phenyl]naphthalene-2-carboxylic acid;6-[3-(benzimidazol-1-yl)phenyl]naphthalen-2-ol;1-[3-(6-methoxynaphthalen-2-yl)phenyl]benzimidazole;methyl 6-[3-(benzimidazol-1-yl)phenyl]naphthalene-2-carboxylate
CID 157932183
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;methyl 4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]benzoate;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone
CID 158003360
3-[4-[2-(Benzimidazol-1-yl)ethyl]phenyl]benzonitrile;3-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]phenol;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzoic acid;4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-imidazol-1-ylbenzonitrile;methane;1-[2-[4-(3-methoxyphenyl)phenyl]ethyl]benzimidazole
CID 158212241
4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenol;methane;1-[3-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoate
CID 158225164
4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoic acid;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzonitrile;4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxyphenol;1-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]benzimidazole;methyl 4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]-2-methoxybenzoate
CID 158247362

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate?
The IUPAC name of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate (CID 158812588) is 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate?
The canonical SMILES for 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate is C.COC(=O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.COc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.N#Cc1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.O=C(Nc1cccc(-n2cnc3ccccc32)c1)c1ccc(O)cc1.O=C(O)c1ccc(C(=O)Nc2cccc(-n3cnc4ccccc43)c2)cc1.
What is the InChIKey of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate?
The InChIKey is IUWISRJZYKPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3.C21H14N4O.C21H15N3O3.C21H17N3O2.C20H15N3O2.CH4/c1-28-22(27)16-11-9-15(10-12-16)21(26)24-17-5-4-6-18(13-17)25-14-23-19-7-2-3-8-20(19)25;22-13-15-8-10-16(11-9-15)21(26)24-17-4-3-5-18(12-17)25-14-23-19-6-1-2-7-20(19)25;25-20(14-8-10-15(11-9-14)21(26)27)23-16-4-3-5-17(12-16)24-13-22-18-6-1-2-7-19(18)24;1-26-18-11-9-15(10-12-18)21(25)23-16-5-4-6-17(13-16)24-14-22-19-7-2-3-8-20(19)24;24-17-10-8-14(9-11-17)20(25)22-15-4-3-5-16(12-15)23-13-21-18-6-1-2-7-19(18)23;/h2-14H,1H3,(H,24,26);1-12,14H,(H,24,26);1-13H,(H,23,25)(H,26,27);2-14H,1H3,(H,23,25);1-13,24H,(H,22,25);1H4.
What are the key properties of 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate?
4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate has a molecular weight of 1755.92 g/mol, XLogP of 21.10, 18 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoic acid;N-[3-(benzimidazol-1-yl)phenyl]-4-cyanobenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxybenzamide;N-[3-(benzimidazol-1-yl)phenyl]-4-methoxybenzamide;methane;methyl 4-[[3-(benzimidazol-1-yl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 158812588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).