2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

C13H12F2N2O2 — CID 82122738

IUPAC2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(F)c(F)c1)C(=O)n1ccnc1
InChIInChI=1S/C13H12F2N2O2/c1-13(2,12(18)17-6-5-16-8-17)19-9-3-4-10(14)11(15)7-9/h3-8H,1-2H3
InChIKeyFMZKHIAYXMQTQS-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.66
Rot. Bonds3

About 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 82122738) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID82122738
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(F)c(F)c1)C(=O)n1ccnc1
InChIInChI=1S/C13H12F2N2O2/c1-13(2,12(18)17-6-5-16-8-17)19-9-3-4-10(14)11(15)7-9/h3-8H,1-2H3
InChIKeyFMZKHIAYXMQTQS-UHFFFAOYSA-N
XLogP2.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120984
2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120993
2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120994
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337250
4-(3,4-difluorophenoxy)-4-methylpentan-2-one
CID 82081319
2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 110464807
4-(3,4-difluorophenoxy)-4-methylpentanoic acid
CID 82085388
(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone
CID 69457335
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337288

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (CID 82122738) is 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is CC(C)(Oc1ccc(F)c(F)c1)C(=O)n1ccnc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is FMZKHIAYXMQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-13(2,12(18)17-6-5-16-8-17)19-9-3-4-10(14)11(15)7-9/h3-8H,1-2H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 266.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 82122738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).