(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol

C13H14F2N2O — CID 66164038

IUPAC(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1C(O)c1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)17-7-16-6-11(17)13(18)9-4-3-5-10(14)12(9)15/h3-8,13,18H,1-2H3
InChIKeyQRCLUBYARAQKMU-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.82
Rot. Bonds3

About (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol

(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol (PubChem CID 66164038) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
PubChem CID66164038
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1C(O)c1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)17-7-16-6-11(17)13(18)9-4-3-5-10(14)12(9)15/h3-8,13,18H,1-2H3
InChIKeyQRCLUBYARAQKMU-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134745
(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66162043
(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818
isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
CID 103142942
(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 66163040
(3-bromo-2,6-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 106941390
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162021
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol (CID 66164038) is (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol is CC(C)n1cncc1C(O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
The InChIKey is QRCLUBYARAQKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8(2)17-7-16-6-11(17)13(18)9-4-3-5-10(14)12(9)15/h3-8,13,18H,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol has a molecular weight of 252.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol is sourced from PubChem (CID 66164038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).