3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid

C26H29N3O3 — CID 11495719

IUPAC3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
SMILESCc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC2CCCCC2)[nH]1
InChIInChI=1S/C26H29N3O3/c1-17-8-5-6-13-21(17)24-28-22(15-14-18-9-3-2-4-10-18)23(29-24)25(30)27-20-12-7-11-19(16-20)26(31)32/h5-8,11-13,16,18H,2-4,9-10,14-15H2,1H3,(H,27,30)(H,28,29)(H,31,32)
InChIKeySKUFNCMKIZKKOD-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.85
Rot. Bonds7

About 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid

3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid (PubChem CID 11495719) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
PubChem CID11495719
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
SMILESCc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC2CCCCC2)[nH]1
InChIInChI=1S/C26H29N3O3/c1-17-8-5-6-13-21(17)24-28-22(15-14-18-9-3-2-4-10-18)23(29-24)25(30)27-20-12-7-11-19(16-20)26(31)32/h5-8,11-13,16,18H,2-4,9-10,14-15H2,1H3,(H,27,30)(H,28,29)(H,31,32)
InChIKeySKUFNCMKIZKKOD-UHFFFAOYSA-N
XLogP5.85
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid 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

2-(1H-1,3-benzodiazol-2-yl)benzoic acid
CID 318130
3-{[5-(adamantan-1-yloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]-amino}-benzoic acid
CID 9832467
5-[[5-[2-(1-adamantyl)ethyl]-2-(1-methylcyclohexyl)-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 11555184
US11028054, Example 25
CID 146525397
4-(4-Phenyl-5-p-tolyl-1H-imidazol-2-yl)-benzoic acid
CID 1101900
3-[[5-(cycloheptylmethyl)-2-naphthalen-2-yl-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 9869202
4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid
CID 10089114
4''-(2-Butyl-4-oxo-4,5-dihydro-imidazo[4,5-c]pyridin-3-ylmethyl)-biphenyl-2-carboxylic acid
CID 10092454
4-(4-Carbamoyl-1H-1,3-benzodiazol-2-YL)benzoic acid
CID 10755250
5-[[5-[2-(1-adamantyl)ethyl]-2-(2,4,6-trimethylphenyl)-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 11497371
5-[[5-[2-(1-adamantyl)ethyl]-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]-2-(dimethylamino)benzoic acid
CID 11505870
5-[[5-[2-(1-adamantyl)ethyl]-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 11511706

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid (CID 11495719) is 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid is Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC2CCCCC2)[nH]1.
What is the InChIKey of 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
The InChIKey is SKUFNCMKIZKKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-8-5-6-13-21(17)24-28-22(15-14-18-9-3-2-4-10-18)23(29-24)25(30)27-20-12-7-11-19(16-20)26(31)32/h5-8,11-13,16,18H,2-4,9-10,14-15H2,1H3,(H,27,30)(H,28,29)(H,31,32).
What are the key properties of 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid has a molecular weight of 431.54 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 11495719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).