4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid

C15H18N2O3 — CID 114512471

IUPAC4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(c2nc3ccc(O)cc3[nH]2)C1
InChIInChI=1S/C15H18N2O3/c1-2-8-5-10(11(6-8)15(19)20)14-16-12-4-3-9(18)7-13(12)17-14/h3-4,7-8,10-11,18H,2,5-6H2,1H3,(H,16,17)(H,19,20)
InChIKeyHLNQNHNFXHPWCB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.87
Rot. Bonds3

About 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid

4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 114512471) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID114512471
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(c2nc3ccc(O)cc3[nH]2)C1
InChIInChI=1S/C15H18N2O3/c1-2-8-5-10(11(6-8)15(19)20)14-16-12-4-3-9(18)7-13(12)17-14/h3-4,7-8,10-11,18H,2,5-6H2,1H3,(H,16,17)(H,19,20)
InChIKeyHLNQNHNFXHPWCB-UHFFFAOYSA-N
XLogP2.87
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 114512460
2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 82001126
2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
CID 81432165
2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 43379455
ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377555
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79815805
2-(6-fluoro-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60785476
2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 81137693
6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
CID 60648934
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79795345
(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
CID 146264225
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid (CID 114512471) is 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(c2nc3ccc(O)cc3[nH]2)C1.
What is the InChIKey of 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HLNQNHNFXHPWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-8-5-10(11(6-8)15(19)20)14-16-12-4-3-9(18)7-13(12)17-14/h3-4,7-8,10-11,18H,2,5-6H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).