1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid

C15H16N2O2 — CID 117394127

IUPAC1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2-c2ncc[nH]2)CCCC1
InChIInChI=1S/C15H16N2O2/c18-14(19)15(7-3-4-8-15)12-6-2-1-5-11(12)13-16-9-10-17-13/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyLBVFNPAPEDZYEU-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid

1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117394127) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117394127
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2-c2ncc[nH]2)CCCC1
InChIInChI=1S/C15H16N2O2/c18-14(19)15(7-3-4-8-15)12-6-2-1-5-11(12)13-16-9-10-17-13/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyLBVFNPAPEDZYEU-UHFFFAOYSA-N
XLogP2.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-2-yl)benzamide;hydrate
CID 140783933
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4-[2-(1H-imidazol-2-yl)phenyl]cyclohexa-1,5-diene-1,4-diamine
CID 174602782
[2-(1H-imidazol-2-yl)phenyl]methanol
CID 54081876
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
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1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
CID 115008860
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid (CID 117394127) is 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccccc2-c2ncc[nH]2)CCCC1.
What is the InChIKey of 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is LBVFNPAPEDZYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14(19)15(7-3-4-8-15)12-6-2-1-5-11(12)13-16-9-10-17-13/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117394127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).