2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one

C21H29N3O — CID 10497320

IUPAC2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one
SMILESO=C1CN=C(N(C2CCCCC2)C2CCCCC2)N1c1ccccc1
InChIInChI=1S/C21H29N3O/c25-20-16-22-21(24(20)19-14-8-3-9-15-19)23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h3,8-9,14-15,17-18H,1-2,4-7,10-13,16H2
InChIKeyRAFKBZHKJZPLSH-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.36
Rot. Bonds3

About 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one

2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one (PubChem CID 10497320) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one
PubChem CID10497320
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one
SMILESO=C1CN=C(N(C2CCCCC2)C2CCCCC2)N1c1ccccc1
InChIInChI=1S/C21H29N3O/c25-20-16-22-21(24(20)19-14-8-3-9-15-19)23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h3,8-9,14-15,17-18H,1-2,4-7,10-13,16H2
InChIKeyRAFKBZHKJZPLSH-UHFFFAOYSA-N
XLogP4.36
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-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-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one?
The IUPAC name of 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one (CID 10497320) is 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one.
What is the SMILES notation for 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one?
The canonical SMILES for 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one is O=C1CN=C(N(C2CCCCC2)C2CCCCC2)N1c1ccccc1.
What is the InChIKey of 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one?
The InChIKey is RAFKBZHKJZPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-20-16-22-21(24(20)19-14-8-3-9-15-19)23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h3,8-9,14-15,17-18H,1-2,4-7,10-13,16H2.
What are the key properties of 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one?
2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one has a molecular weight of 339.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylamino)-1-phenyl-4H-imidazol-5-one is sourced from PubChem (CID 10497320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).