1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone

C12H4BrF7N2O — CID 20551852

IUPAC1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1cccc(F)c1-c1nc(Br)c(C(F)(F)F)[nH]1)C(F)(F)F
InChIInChI=1S/C12H4BrF7N2O/c13-9-7(11(15,16)17)21-10(22-9)6-4(2-1-3-5(6)14)8(23)12(18,19)20/h1-3H,(H,21,22)
InChIKeyVLEHKKNOVPUKCL-UHFFFAOYSA-N
MW405.07 g/mol
LogP4.74
Rot. Bonds2

About 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone

1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone (PubChem CID 20551852) has the molecular formula C12H4BrF7N2O and a molecular weight of 405.07 g/mol. Its IUPAC name is 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone
PubChem CID20551852
Molecular FormulaC12H4BrF7N2O
Molecular Weight405.07 g/mol
Exact Mass403.94
IUPAC Name1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1cccc(F)c1-c1nc(Br)c(C(F)(F)F)[nH]1)C(F)(F)F
InChIInChI=1S/C12H4BrF7N2O/c13-9-7(11(15,16)17)21-10(22-9)6-4(2-1-3-5(6)14)8(23)12(18,19)20/h1-3H,(H,21,22)
InChIKeyVLEHKKNOVPUKCL-UHFFFAOYSA-N
XLogP4.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.07
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-[4-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-chloro-5-fluorophenyl]-2,2,2-trifluoroethanone
CID 20551812
propan-2-yl 2-bromo-5-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-4-fluorobenzoate
CID 20551908
4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 20551895
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 168553324
4-bromo-2-[2-chloro-6-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 20551778
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
CID 114560144
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
2,2,2-trifluoro-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 11009809
1-[3-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2,2-trifluoroethanone
CID 87575430
N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
CID 70833648
4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid
CID 69189659
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone (CID 20551852) is 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone is O=C(c1cccc(F)c1-c1nc(Br)c(C(F)(F)F)[nH]1)C(F)(F)F.
What is the InChIKey of 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone?
The InChIKey is VLEHKKNOVPUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrF7N2O/c13-9-7(11(15,16)17)21-10(22-9)6-4(2-1-3-5(6)14)8(23)12(18,19)20/h1-3H,(H,21,22).
What are the key properties of 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone?
1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone has a molecular weight of 405.07 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 20551852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).