(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol

C13H14F2N2O — CID 67853018

IUPAC(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
SMILESCC[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-2-13(18,8-17-6-5-16-9-17)11-4-3-10(14)7-12(11)15/h3-7,9,18H,2,8H2,1H3/t13-/m0/s1
InChIKeyYHBMLWSBZBSNGU-ZDUSSCGKSA-N
MW252.26 g/mol
LogP2.46
Rot. Bonds4

About (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol

(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol (PubChem CID 67853018) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
PubChem CID67853018
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
SMILESCC[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-2-13(18,8-17-6-5-16-9-17)11-4-3-10(14)7-12(11)15/h3-7,9,18H,2,8H2,1H3/t13-/m0/s1
InChIKeyYHBMLWSBZBSNGU-ZDUSSCGKSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 10659450
1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol
CID 14988711
1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
CID 19913066
2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
CID 12771346
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 20519440
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
2-(5-fluoro-2-phenoxyphenyl)-1-imidazol-1-ylpropan-2-ol
CID 22718716
2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 135209019
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol (CID 67853018) is (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol is CC[C@](O)(Cn1ccnc1)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
The InChIKey is YHBMLWSBZBSNGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-13(18,8-17-6-5-16-9-17)11-4-3-10(14)7-12(11)15/h3-7,9,18H,2,8H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol has a molecular weight of 252.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol is sourced from PubChem (CID 67853018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).