1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid

C15H16N2O2 — CID 117394133

IUPAC1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-n3ccnc3)cc2)CCCC1
InChIInChI=1S/C15H16N2O2/c18-14(19)15(7-1-2-8-15)12-3-5-13(6-4-12)17-10-9-16-11-17/h3-6,9-11H,1-2,7-8H2,(H,18,19)
InChIKeyOKXRUUOOEVBCII-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid

1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117394133) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117394133
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-n3ccnc3)cc2)CCCC1
InChIInChI=1S/C15H16N2O2/c18-14(19)15(7-1-2-8-15)12-3-5-13(6-4-12)17-10-9-16-11-17/h3-6,9-11H,1-2,7-8H2,(H,18,19)
InChIKeyOKXRUUOOEVBCII-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-imidazol-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117404498
1-[4-(triazol-1-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117431069
imidazol-1-yl-(1-phenylcyclopentyl)methanone
CID 110464353
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone
CID 23118279
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
CID 117310612
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate
CID 166360265

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid (CID 117394133) is 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(-n3ccnc3)cc2)CCCC1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is OKXRUUOOEVBCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14(19)15(7-1-2-8-15)12-3-5-13(6-4-12)17-10-9-16-11-17/h3-6,9-11H,1-2,7-8H2,(H,18,19).
What are the key properties of 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid?
1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117394133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).