(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol

C11H10F2N2O — CID 107978391

IUPAC(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(C(O)c2cccc(F)c2F)c1
InChIInChI=1S/C11H10F2N2O/c1-15-5-9(14-6-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3
InChIKeyJFSFPPHHZMBKMR-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.78
Rot. Bonds2

About (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol

(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol (PubChem CID 107978391) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
PubChem CID107978391
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(C(O)c2cccc(F)c2F)c1
InChIInChI=1S/C11H10F2N2O/c1-15-5-9(14-6-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3
InChIKeyJFSFPPHHZMBKMR-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591
(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978292
(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978535
2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978736
(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134745
(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
CID 107976884
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole
CID 146634880
(3-fluoro-4-isocyanophenyl)-(1-methylimidazol-4-yl)methanol
CID 22966387
(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66164038
4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
CID 134093732
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol (CID 107978391) is (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol is Cn1cnc(C(O)c2cccc(F)c2F)c1.
What is the InChIKey of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol?
The InChIKey is JFSFPPHHZMBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-15-5-9(14-6-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3.
What are the key properties of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol?
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol has a molecular weight of 224.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 107978391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).