2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one

C17H16BrN3O2 — CID 25063366

IUPAC2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C17H16BrN3O2/c1-21-15(22)17(20-16(21)19,12-4-3-5-13(18)10-12)11-6-8-14(23-2)9-7-11/h3-10H,1-2H3,(H2,19,20)
InChIKeyXYDYMBYKJMCMMJ-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.49
Rot. Bonds3

About 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one

2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one (PubChem CID 25063366) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
PubChem CID25063366
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C17H16BrN3O2/c1-21-15(22)17(20-16(21)19,12-4-3-5-13(18)10-12)11-6-8-14(23-2)9-7-11/h3-10H,1-2H3,(H2,19,20)
InChIKeyXYDYMBYKJMCMMJ-UHFFFAOYSA-N
XLogP2.49
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-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-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one (CID 25063366) is 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one is COc1ccc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cc1.
What is the InChIKey of 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The InChIKey is XYDYMBYKJMCMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-21-15(22)17(20-16(21)19,12-4-3-5-13(18)10-12)11-6-8-14(23-2)9-7-11/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one has a molecular weight of 374.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 25063366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).