1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid

C19H18N2O3 — CID 23515705

IUPAC1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)n2C1CCCC1
InChIInChI=1S/C19H18N2O3/c22-15-7-3-4-12(10-15)18-20-16-11-13(19(23)24)8-9-17(16)21(18)14-5-1-2-6-14/h3-4,7-11,14,22H,1-2,5-6H2,(H,23,24)
InChIKeyVNVVEVZOSLWGNG-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds3

About 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid

1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 23515705) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID23515705
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)n2C1CCCC1
InChIInChI=1S/C19H18N2O3/c22-15-7-3-4-12(10-15)18-20-16-11-13(19(23)24)8-9-17(16)21(18)14-5-1-2-6-14/h3-4,7-11,14,22H,1-2,5-6H2,(H,23,24)
InChIKeyVNVVEVZOSLWGNG-UHFFFAOYSA-N
XLogP4.22
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
CID 145946097
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
5-Substituted 1-Phenylbenzimidazole 41
CID 5328531
2-[(4-Propan-2-Ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-Trimethylcyclohexyl]benzimidazole-5-Carboxylic Acid
CID 118311107
4-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-amino]-benzoic acid
CID 1097871
1-ethyl-N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 3665533

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid (CID 23515705) is 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is VNVVEVZOSLWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-15-7-3-4-12(10-15)18-20-16-11-13(19(23)24)8-9-17(16)21(18)14-5-1-2-6-14/h3-4,7-11,14,22H,1-2,5-6H2,(H,23,24).
What are the key properties of 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).