1-(cyclopentylmethyl)imidazole-2-carboxylic acid

C10H14N2O2 — CID 84665405

IUPAC1-(cyclopentylmethyl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1CC1CCCC1
InChIInChI=1S/C10H14N2O2/c13-10(14)9-11-5-6-12(9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeySIFIDZIAKMTEOX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.77
Rot. Bonds3

About 1-(cyclopentylmethyl)imidazole-2-carboxylic acid

1-(cyclopentylmethyl)imidazole-2-carboxylic acid (PubChem CID 84665405) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylmethyl)imidazole-2-carboxylic acid
PubChem CID84665405
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(cyclopentylmethyl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1CC1CCCC1
InChIInChI=1S/C10H14N2O2/c13-10(14)9-11-5-6-12(9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeySIFIDZIAKMTEOX-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptylimidazole-2-carboxylic acid
CID 130609991
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
N-cyclohexyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493994
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine
CID 84687148

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(cyclopentylmethyl)imidazole-2-carboxylic acid (CID 84665405) is 1-(cyclopentylmethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylmethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(cyclopentylmethyl)imidazole-2-carboxylic acid is O=C(O)c1nccn1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)imidazole-2-carboxylic acid?
The InChIKey is SIFIDZIAKMTEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)9-11-5-6-12(9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,14).
What are the key properties of 1-(cyclopentylmethyl)imidazole-2-carboxylic acid?
1-(cyclopentylmethyl)imidazole-2-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 84665405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).