1-cyclohexyl-4,5-diphenylimidazol-2-amine

C21H23N3 — CID 53316758

IUPAC1-cyclohexyl-4,5-diphenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C21H23N3/c22-21-23-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23)
InChIKeyQCRPYGXCYRMJBA-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.30
Rot. Bonds3

About 1-cyclohexyl-4,5-diphenylimidazol-2-amine

1-cyclohexyl-4,5-diphenylimidazol-2-amine (PubChem CID 53316758) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-cyclohexyl-4,5-diphenylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4,5-diphenylimidazol-2-amine
PubChem CID53316758
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-cyclohexyl-4,5-diphenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C21H23N3/c22-21-23-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23)
InChIKeyQCRPYGXCYRMJBA-UHFFFAOYSA-N
XLogP5.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-4,5-diphenylimidazol-2-amine 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-cyclohexyl-4,5-diphenylimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-4,5-diphenylimidazol-2-amine (CID 53316758) is 1-cyclohexyl-4,5-diphenylimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-4,5-diphenylimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-4,5-diphenylimidazol-2-amine is Nc1nc(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4,5-diphenylimidazol-2-amine?
The InChIKey is QCRPYGXCYRMJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c22-21-23-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23).
What are the key properties of 1-cyclohexyl-4,5-diphenylimidazol-2-amine?
1-cyclohexyl-4,5-diphenylimidazol-2-amine has a molecular weight of 317.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,5-diphenylimidazol-2-amine is sourced from PubChem (CID 53316758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).