1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid

C27H25N3O3 — CID 23515819

IUPAC1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1
InChIInChI=1S/C27H25N3O3/c1-17-6-13-21(14-7-17)28-26(31)19-10-8-18(9-11-19)25-29-23-16-20(27(32)33)12-15-24(23)30(25)22-4-2-3-5-22/h6-16,22H,2-5H2,1H3,(H,28,31)(H,32,33)
InChIKeyAKMHWGROZLRFNT-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.08
Rot. Bonds5

About 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid

1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 23515819) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
PubChem CID23515819
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1
InChIInChI=1S/C27H25N3O3/c1-17-6-13-21(14-7-17)28-26(31)19-10-8-18(9-11-19)25-29-23-16-20(27(32)33)12-15-24(23)30(25)22-4-2-3-5-22/h6-16,22H,2-5H2,1H3,(H,28,31)(H,32,33)
InChIKeyAKMHWGROZLRFNT-UHFFFAOYSA-N
XLogP6.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-[4-[[4-(2-ethoxy-2-oxoethyl)phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515751
1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515540
1-cyclohexyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]benzimidazole-5-carboxylic acid;ethane
CID 142073991
2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516040
2-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516004
2-[2-[(4-chlorophenyl)carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276128
2-[3-[(4-butoxyphenyl)carbamoyl]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515886
1-cyclohexyl-2-(4-nitrophenyl)-N-phenylbenzimidazole-5-carboxamide
CID 155817107
N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
CID 46886300
1-cyclohexyl-2-[4-(isoquinolin-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515620
2-[4-(2-carboxyethenyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 74058096
1-cyclopentyl-2-[4-(2-pyridin-4-ylethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515730

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid (CID 23515819) is 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid is Cc1ccc(NC(=O)c2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is AKMHWGROZLRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-17-6-13-21(14-7-17)28-26(31)19-10-8-18(9-11-19)25-29-23-16-20(27(32)33)12-15-24(23)30(25)22-4-2-3-5-22/h6-16,22H,2-5H2,1H3,(H,28,31)(H,32,33).
What are the key properties of 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 439.52 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).