4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one

C12H11BrClN3O — CID 82999211

IUPAC4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(Cl)cc1Br
InChIInChI=1S/C12H11BrClN3O/c13-9-5-6(14)1-4-8(9)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyOWKZWIGMNJMWJZ-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.38
Rot. Bonds2

About 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one

4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82999211) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
PubChem CID82999211
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(Cl)cc1Br
InChIInChI=1S/C12H11BrClN3O/c13-9-5-6(14)1-4-8(9)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyOWKZWIGMNJMWJZ-UHFFFAOYSA-N
XLogP2.38
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-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 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (CID 82999211) is 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1ccc(Cl)cc1Br.
What is the InChIKey of 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is OWKZWIGMNJMWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c13-9-5-6(14)1-4-8(9)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18).
What are the key properties of 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 328.60 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82999211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).