1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid

C17H18N2O2 — CID 89177505

IUPAC1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid
SMILESC=C1CCCCC1n1cnc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-12-7-5-6-10-14(12)19-11-18-15(17(20)21)16(19)13-8-3-2-4-9-13/h2-4,8-9,11,14H,1,5-7,10H2,(H,20,21)
InChIKeyDVQGIIUETMGJPM-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.92
Rot. Bonds3

About 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid

1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid (PubChem CID 89177505) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid
PubChem CID89177505
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid
SMILESC=C1CCCCC1n1cnc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-12-7-5-6-10-14(12)19-11-18-15(17(20)21)16(19)13-8-3-2-4-9-13/h2-4,8-9,11,14H,1,5-7,10H2,(H,20,21)
InChIKeyDVQGIIUETMGJPM-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid?
The IUPAC name of 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid (CID 89177505) is 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid is C=C1CCCCC1n1cnc(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid?
The InChIKey is DVQGIIUETMGJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-7-5-6-10-14(12)19-11-18-15(17(20)21)16(19)13-8-3-2-4-9-13/h2-4,8-9,11,14H,1,5-7,10H2,(H,20,21).
What are the key properties of 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid?
1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid is sourced from PubChem (CID 89177505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).