2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone

C12H11BrN2O — CID 63977072

IUPAC2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C12H11BrN2O/c1-15-7-6-14-12(15)11(16)8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3
InChIKeyHNGSDEDLHUSWMW-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone

2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 63977072) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone
PubChem CID63977072
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)Cc1ccccc1Br
InChIInChI=1S/C12H11BrN2O/c1-15-7-6-14-12(15)11(16)8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3
InChIKeyHNGSDEDLHUSWMW-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-2-yl)-2-(5-pyridin-2-ylpyrazin-2-yl)ethanone
CID 158569357
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
CID 114639897
2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanone
CID 66144131
(2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one
CID 177419844
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
CID 105100591
[2-(2-bromophenyl)acetyl] propanoate
CID 90987383
3-(dimethylamino)-1-(1-methylimidazol-2-yl)propan-1-one
CID 115345823
1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone (CID 63977072) is 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is HNGSDEDLHUSWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-15-7-6-14-12(15)11(16)8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone?
2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 279.14 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 63977072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).