2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one

C21H23N3O — CID 44530523

IUPAC2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H23N3O/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(25)24(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23)
InChIKeyLEKJIUIIENTICB-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.42
Rot. Bonds3

About 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one

2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one (PubChem CID 44530523) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
PubChem CID44530523
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H23N3O/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(25)24(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23)
InChIKeyLEKJIUIIENTICB-UHFFFAOYSA-N
XLogP3.42
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one 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 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one (CID 44530523) is 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one?
The InChIKey is LEKJIUIIENTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(25)24(20)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 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one?
2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one has a molecular weight of 333.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 44530523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).