2-cyclopentyl-3-methylimidazole-4-carboxylic acid

C10H14N2O2 — CID 82375323

IUPAC2-cyclopentyl-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1C1CCCC1
InChIInChI=1S/C10H14N2O2/c1-12-8(10(13)14)6-11-9(12)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyVWVGRFXNQNCNEK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.78
Rot. Bonds2

About 2-cyclopentyl-3-methylimidazole-4-carboxylic acid

2-cyclopentyl-3-methylimidazole-4-carboxylic acid (PubChem CID 82375323) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclopentyl-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-methylimidazole-4-carboxylic acid
PubChem CID82375323
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclopentyl-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1C1CCCC1
InChIInChI=1S/C10H14N2O2/c1-12-8(10(13)14)6-11-9(12)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyVWVGRFXNQNCNEK-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone
CID 45086294
3-cyclobutylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83835843
4-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 82375478
2-(hydroxymethyl)-3-methylimidazole-4-carboxylic acid
CID 117188464
(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 97003386
3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142621
3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid;hydrochloride
CID 75447691
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83646498
methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142874
3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid
CID 117188318
6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854380
3-cyclobutylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83835844

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-3-methylimidazole-4-carboxylic acid (CID 82375323) is 2-cyclopentyl-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-3-methylimidazole-4-carboxylic acid is Cn1c(C(=O)O)cnc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-methylimidazole-4-carboxylic acid?
The InChIKey is VWVGRFXNQNCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-8(10(13)14)6-11-9(12)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-cyclopentyl-3-methylimidazole-4-carboxylic acid?
2-cyclopentyl-3-methylimidazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82375323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).