1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

C31H27N3O3 — CID 23515648

IUPAC1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)NCc3cccc4ccccc34)c1)n2C1CCCC1
InChIInChI=1S/C31H27N3O3/c35-30(32-19-24-11-5-8-20-7-1-4-14-26(20)24)22-10-6-9-21(17-22)29-33-27-18-23(31(36)37)15-16-28(27)34(29)25-12-2-3-13-25/h1,4-11,14-18,25H,2-3,12-13,19H2,(H,32,35)(H,36,37)
InChIKeyGXQSTZROHJKAEA-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.60
Rot. Bonds6

About 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid (PubChem CID 23515648) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
PubChem CID23515648
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC Name1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)NCc3cccc4ccccc34)c1)n2C1CCCC1
InChIInChI=1S/C31H27N3O3/c35-30(32-19-24-11-5-8-20-7-1-4-14-26(20)24)22-10-6-9-21(17-22)29-33-27-18-23(31(36)37)15-16-28(27)34(29)25-12-2-3-13-25/h1,4-11,14-18,25H,2-3,12-13,19H2,(H,32,35)(H,36,37)
InChIKeyGXQSTZROHJKAEA-UHFFFAOYSA-N
XLogP6.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzhydrylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515900
1-cyclohexyl-2-[3-[(naphthalen-1-ylamino)methyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515478
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515885
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515901
1-cyclohexyl-2-[4-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515558
1-cyclohexyl-2-[3-[[3-[(3,5-dichlorobenzoyl)amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515501
1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 142073820
2-[3-[(benzhydrylamino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515899
2-[3-[(4-butoxyphenyl)carbamoyl]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515886
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid (CID 23515648) is 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)NCc3cccc4ccccc34)c1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is GXQSTZROHJKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O3/c35-30(32-19-24-11-5-8-20-7-1-4-14-26(20)24)22-10-6-9-21(17-22)29-33-27-18-23(31(36)37)15-16-28(27)34(29)25-12-2-3-13-25/h1,4-11,14-18,25H,2-3,12-13,19H2,(H,32,35)(H,36,37).
What are the key properties of 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 489.58 g/mol, XLogP of 6.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).