6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid

C27H23ClF2N4O3 — CID 91046514

IUPAC6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid
SMILESCC(=O)N(c1ccc(C(=O)O)cn1)C1(n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)CCCCC1
InChIInChI=1S/C27H23ClF2N4O3/c1-16(35)33(24-10-7-18(15-31-24)26(36)37)27(11-3-2-4-12-27)34-23-14-21(30)20(29)13-22(23)32-25(34)17-5-8-19(28)9-6-17/h5-10,13-15H,2-4,11-12H2,1H3,(H,36,37)
InChIKeyYNVUBNCMFLRNCG-UHFFFAOYSA-N
MW524.96 g/mol
LogP6.40
Rot. Bonds5

About 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid

6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid (PubChem CID 91046514) has the molecular formula C27H23ClF2N4O3 and a molecular weight of 524.96 g/mol. Its IUPAC name is 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid
PubChem CID91046514
Molecular FormulaC27H23ClF2N4O3
Molecular Weight524.96 g/mol
Exact Mass524.14
IUPAC Name6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid
SMILESCC(=O)N(c1ccc(C(=O)O)cn1)C1(n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)CCCCC1
InChIInChI=1S/C27H23ClF2N4O3/c1-16(35)33(24-10-7-18(15-31-24)26(36)37)27(11-3-2-4-12-27)34-23-14-21(30)20(29)13-22(23)32-25(34)17-5-8-19(28)9-6-17/h5-10,13-15H,2-4,11-12H2,1H3,(H,36,37)
InChIKeyYNVUBNCMFLRNCG-UHFFFAOYSA-N
XLogP6.40
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.96
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic 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

(R)-5-chloro-6-(3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)nicotinic acid
CID 11649876
6-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-nicotinic acid
CID 44198732
rac-2-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)benzoic acid
CID 53323640
Methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359798
Methyl 3-benzyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299381
Methyl 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299398
Methyl 2-(4-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299399
Methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299402
Methyl 2-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299517
rac-5-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)picolinic acid
CID 53322282
3-chloro-4-[[(2S)-2-[2-(6-chloro-3-pyridinyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]benzoic acid
CID 126962446
[2-(4-Chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
CID 42598712

Frequently Asked Questions

What is the IUPAC name of 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid (CID 91046514) is 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid is CC(=O)N(c1ccc(C(=O)O)cn1)C1(n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)CCCCC1.
What is the InChIKey of 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid?
The InChIKey is YNVUBNCMFLRNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF2N4O3/c1-16(35)33(24-10-7-18(15-31-24)26(36)37)27(11-3-2-4-12-27)34-23-14-21(30)20(29)13-22(23)32-25(34)17-5-8-19(28)9-6-17/h5-10,13-15H,2-4,11-12H2,1H3,(H,36,37).
What are the key properties of 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid?
6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid has a molecular weight of 524.96 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[acetyl-[1-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 91046514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).