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

C12H12F2N2O — CID 110898736

IUPAC1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol
SMILESCc1nccn1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-8-15-4-5-16(8)7-12(17)9-2-3-10(13)11(14)6-9/h2-6,12,17H,7H2,1H3
InChIKeyNKLMPKNILIALSK-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.20
Rot. Bonds3

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

1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol (PubChem CID 110898736) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol
PubChem CID110898736
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol
SMILESCc1nccn1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-8-15-4-5-16(8)7-12(17)9-2-3-10(13)11(14)6-9/h2-6,12,17H,7H2,1H3
InChIKeyNKLMPKNILIALSK-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110902796
1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110885644
2-(2-ethylimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109411192
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221
2-(2-methylimidazol-1-yl)-1-(3-nitrophenyl)ethanol
CID 75432602
3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6,7-difluoroquinazolin-4-one
CID 111336462
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(2R)-1-[4-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95309106
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol (CID 110898736) is 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol is Cc1nccn1CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol?
The InChIKey is NKLMPKNILIALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-15-4-5-16(8)7-12(17)9-2-3-10(13)11(14)6-9/h2-6,12,17H,7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol?
1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol has a molecular weight of 238.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol is sourced from PubChem (CID 110898736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).