[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

C12H9F5N2O — CID 164881273

IUPAC[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCn1cc(C(F)(F)F)nc1-c1c(F)cc(CO)cc1F
InChIInChI=1S/C12H9F5N2O/c1-19-4-9(12(15,16)17)18-11(19)10-7(13)2-6(5-20)3-8(10)14/h2-4,20H,5H2,1H3
InChIKeyVEQMSIHBHFRRSG-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.88
Rot. Bonds2

About [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 164881273) has the molecular formula C12H9F5N2O and a molecular weight of 292.21 g/mol. Its IUPAC name is [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
PubChem CID164881273
Molecular FormulaC12H9F5N2O
Molecular Weight292.21 g/mol
Exact Mass292.06
IUPAC Name[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCn1cc(C(F)(F)F)nc1-c1c(F)cc(CO)cc1F
InChIInChI=1S/C12H9F5N2O/c1-19-4-9(12(15,16)17)18-11(19)10-7(13)2-6(5-20)3-8(10)14/h2-4,20H,5H2,1H3
InChIKeyVEQMSIHBHFRRSG-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 170707221
[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 172586154
[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol
CID 170707572
[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
CID 129139635
[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881354
2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 168800104
[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
CID 172584473
9-[[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 129140148
methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate
CID 172586617
5-bromo-2-chloro-N-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 165400933
[5-fluoro-6-[4-(fluoromethyl)-1-methylimidazol-2-yl]-3-pyridinyl]methanol
CID 172584239
2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 172585714

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (CID 164881273) is [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is Cn1cc(C(F)(F)F)nc1-c1c(F)cc(CO)cc1F.
What is the InChIKey of [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The InChIKey is VEQMSIHBHFRRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N2O/c1-19-4-9(12(15,16)17)18-11(19)10-7(13)2-6(5-20)3-8(10)14/h2-4,20H,5H2,1H3.
What are the key properties of [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 292.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 164881273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).