1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone

C14H14BrClN2O — CID 115784716

IUPAC1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)11-8-10(15)3-4-12(11)16/h3-5,7-8H,2,6,9H2,1H3
InChIKeyWTHPNJWAGDQJQK-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.13
Rot. Bonds5

About 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone

1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784716) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784716
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)11-8-10(15)3-4-12(11)16/h3-5,7-8H,2,6,9H2,1H3
InChIKeyWTHPNJWAGDQJQK-UHFFFAOYSA-N
XLogP4.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-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-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684
1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79743617
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 82779747
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114980376
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
CID 115784838

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone (CID 115784716) is 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is WTHPNJWAGDQJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)11-8-10(15)3-4-12(11)16/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone?
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 341.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).