2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid

C13H18N2O2 — CID 82373730

IUPAC2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1C1CC1
InChIInChI=1S/C13H18N2O2/c16-13(17)11-10(8-6-7-8)14-12(15-11)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)(H,16,17)
InChIKeyLQLKAKOQPUQUHH-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.03
Rot. Bonds3

About 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid

2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid (PubChem CID 82373730) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid
PubChem CID82373730
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1C1CC1
InChIInChI=1S/C13H18N2O2/c16-13(17)11-10(8-6-7-8)14-12(15-11)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)(H,16,17)
InChIKeyLQLKAKOQPUQUHH-UHFFFAOYSA-N
XLogP3.03
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid (CID 82373730) is 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(C2CCCCC2)[nH]c1C1CC1.
What is the InChIKey of 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid?
The InChIKey is LQLKAKOQPUQUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)11-10(8-6-7-8)14-12(15-11)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid?
2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-cyclopropyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82373730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).