5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one

C12H14BrN3O2 — CID 112749216

IUPAC5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(OC)cc1Br
InChIInChI=1S/C12H14BrN3O2/c1-3-16-10(11(14)15-12(16)17)8-5-4-7(18-2)6-9(8)13/h4-6,10H,3H2,1-2H3,(H2,14,15,17)
InChIKeyOAECKIHDFMJXRX-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.31
Rot. Bonds3

About 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one

5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one (PubChem CID 112749216) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
PubChem CID112749216
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(OC)cc1Br
InChIInChI=1S/C12H14BrN3O2/c1-3-16-10(11(14)15-12(16)17)8-5-4-7(18-2)6-9(8)13/h4-6,10H,3H2,1-2H3,(H2,14,15,17)
InChIKeyOAECKIHDFMJXRX-UHFFFAOYSA-N
XLogP2.31
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79959429
5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79971673
5-amino-4-(2,4-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79967737
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-amino-3-cyclopropyl-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961193
5-amino-4-(2-bromo-5-fluorophenyl)-3-propyl-4H-imidazol-2-one
CID 114077617
5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
CID 79968215
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967027
5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one
CID 104505449

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one (CID 112749216) is 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1ccc(OC)cc1Br.
What is the InChIKey of 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one?
The InChIKey is OAECKIHDFMJXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-3-16-10(11(14)15-12(16)17)8-5-4-7(18-2)6-9(8)13/h4-6,10H,3H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one?
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one has a molecular weight of 312.17 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one is sourced from PubChem (CID 112749216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).