(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone

C10H6BrFN2O — CID 69457335

IUPAC(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1F)n1ccnc1
InChIInChI=1S/C10H6BrFN2O/c11-7-1-2-8(9(12)5-7)10(15)14-4-3-13-6-14/h1-6H
InChIKeyXXWUFROOEUSALS-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.47
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone

(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone (PubChem CID 69457335) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone
PubChem CID69457335
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1F)n1ccnc1
InChIInChI=1S/C10H6BrFN2O/c11-7-1-2-8(9(12)5-7)10(15)14-4-3-13-6-14/h1-6H
InChIKeyXXWUFROOEUSALS-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone
CID 110465025
N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
CID 81257159
(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63025085
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089
imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
CID 110464340
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
(5-chloro-2-methoxyphenyl)-imidazol-1-ylmethanone
CID 68987646
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118869797
(4-bromopyrazolo[1,5-a]pyridin-3-yl)-imidazol-1-ylmethanone
CID 175899392
[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
CID 59566547
N-(2,3-difluorophenyl)imidazole-1-carboxamide
CID 81269096

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone (CID 69457335) is (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone is O=C(c1ccc(Br)cc1F)n1ccnc1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone?
The InChIKey is XXWUFROOEUSALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-7-1-2-8(9(12)5-7)10(15)14-4-3-13-6-14/h1-6H.
What are the key properties of (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone?
(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone has a molecular weight of 269.07 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone is sourced from PubChem (CID 69457335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).