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

C25H33N3O3 — CID 18405616

IUPAC3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2CCC2CCCCC2)c1
InChIInChI=1S/C25H33N3O3/c29-24(26-20-13-7-12-19(16-20)25(30)31)22-21(15-14-17-8-3-1-4-9-17)27-23(28-22)18-10-5-2-6-11-18/h7,12-13,16-18H,1-6,8-11,14-15H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyRBXZWIOYNBGJCK-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.92
Rot. Bonds7

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

3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid (PubChem CID 18405616) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
PubChem CID18405616
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2CCC2CCCCC2)c1
InChIInChI=1S/C25H33N3O3/c29-24(26-20-13-7-12-19(16-20)25(30)31)22-21(15-14-17-8-3-1-4-9-17)27-23(28-22)18-10-5-2-6-11-18/h7,12-13,16-18H,1-6,8-11,14-15H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyRBXZWIOYNBGJCK-UHFFFAOYSA-N
XLogP5.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[[5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 18405536
5-[[5-(2-cycloheptylethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 18405334
5-[[5-[2-(1-bicyclo[2.2.2]octanyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 18405508
3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 139925010
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
3-[5-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-chlorophenyl]propanoic acid
CID 18405382
3-[[4-(4-cyclohexylanilino)benzoyl]amino]benzoic acid
CID 155133623
3-[[2-(2-methylphenyl)-5-(2-phenylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 11505466
3-[[5-[2-(1-adamantyl)ethyl]-2-(2,6-dimethylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 11571166
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]benzoic acid
CID 75429242
3-[[5-[2-(1-adamantyl)ethyl]-2-(2,4,6-trimethylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 11613179

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid (CID 18405616) is 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2CCC2CCCCC2)c1.
What is the InChIKey of 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
The InChIKey is RBXZWIOYNBGJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c29-24(26-20-13-7-12-19(16-20)25(30)31)22-21(15-14-17-8-3-1-4-9-17)27-23(28-22)18-10-5-2-6-11-18/h7,12-13,16-18H,1-6,8-11,14-15H2,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid?
3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid has a molecular weight of 423.56 g/mol, XLogP of 5.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 18405616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).