1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one

C14H15BrN2O — CID 79743810

IUPAC1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
SMILESCCn1ccnc1CC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-17-8-7-16-14(17)10-13(18)9-11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3
InChIKeyUJRBGRITCYEQKE-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one

1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one (PubChem CID 79743810) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
PubChem CID79743810
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
SMILESCCn1ccnc1CC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-17-8-7-16-14(17)10-13(18)9-11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3
InChIKeyUJRBGRITCYEQKE-UHFFFAOYSA-N
XLogP3.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-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

1-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79743617
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-one
CID 79744818
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 116590833
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one (CID 79743810) is 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one is CCn1ccnc1CC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one?
The InChIKey is UJRBGRITCYEQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-17-8-7-16-14(17)10-13(18)9-11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one?
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one has a molecular weight of 307.19 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 79743810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).