1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone

C14H15BrN2O — CID 115783528

IUPAC1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-3-17-7-6-16-14(17)9-13(18)11-5-4-10(2)12(15)8-11/h4-8H,3,9H2,1-2H3
InChIKeyXMAMSVCKHYZVDX-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone

1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 115783528) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID115783528
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-3-17-7-6-16-14(17)9-13(18)11-5-4-10(2)12(15)8-11/h4-8H,3,9H2,1-2H3
InChIKeyXMAMSVCKHYZVDX-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 115783554
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783601

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 115783528) is 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is XMAMSVCKHYZVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-3-17-7-6-16-14(17)9-13(18)11-5-4-10(2)12(15)8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 307.19 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 115783528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).