1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone

C11H8BrClN2O — CID 81291362

IUPAC1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H8BrClN2O/c12-8-2-1-7(5-9(8)13)10(16)6-11-14-3-4-15-11/h1-5H,6H2,(H,14,15)
InChIKeyKZUFQDBUKUBKKR-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone

1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 81291362) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID81291362
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H8BrClN2O/c12-8-2-1-7(5-9(8)13)10(16)6-11-14-3-4-15-11/h1-5H,6H2,(H,14,15)
InChIKeyKZUFQDBUKUBKKR-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone 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

1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 107987148
2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43162758
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 43248305
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 55160397
1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107311568
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
N-[(4-bromo-3-chlorophenyl)methyl]-2-(1H-imidazol-2-yl)ethanamine
CID 114076658
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone (CID 81291362) is 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is KZUFQDBUKUBKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-8-2-1-7(5-9(8)13)10(16)6-11-14-3-4-15-11/h1-5H,6H2,(H,14,15).
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 299.56 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 81291362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).