(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone

C12H10BrFN2O — CID 61314198

IUPAC(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O/c1-2-16-6-5-15-12(16)11(17)9-4-3-8(13)7-10(9)14/h3-7H,2H2,1H3
InChIKeyBMAADDMNPUYWSG-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.04
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone

(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 61314198) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
PubChem CID61314198
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O/c1-2-16-6-5-15-12(16)11(17)9-4-3-8(13)7-10(9)14/h3-7H,2H2,1H3
InChIKeyBMAADDMNPUYWSG-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
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(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone
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(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
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4-bromo-2-(1-ethylimidazol-2-yl)oxybenzoic acid
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(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
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(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
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(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone (CID 61314198) is (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is BMAADDMNPUYWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-2-16-6-5-15-12(16)11(17)9-4-3-8(13)7-10(9)14/h3-7H,2H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone?
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 297.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 61314198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).