1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone

C13H13BrN2O — CID 61405257

IUPAC1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O/c1-2-13-15-7-8-16(13)9-12(17)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3
InChIKeyKOBRGCUTALXKFB-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone

1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone (PubChem CID 61405257) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone
PubChem CID61405257
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O/c1-2-13-15-7-8-16(13)9-12(17)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3
InChIKeyKOBRGCUTALXKFB-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylimidazol-1-yl)-1-(4-iodophenyl)ethanone
CID 61405166
2-(2-ethylimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 61405119
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 75433251
1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80581332
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
2-(2-ethylimidazol-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 61405021
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
1-cyclopentyl-2-(2-ethylimidazol-1-yl)ethanone
CID 115769665
N-(4-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221270
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone (CID 61405257) is 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone is CCc1nccn1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone?
The InChIKey is KOBRGCUTALXKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-2-13-15-7-8-16(13)9-12(17)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone?
1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone has a molecular weight of 293.16 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone is sourced from PubChem (CID 61405257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).