(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol

C12H12F2N2O — CID 66134745

IUPAC(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1cccc(F)c1F
InChIInChI=1S/C12H12F2N2O/c1-2-16-7-15-6-10(16)12(17)8-4-3-5-9(13)11(8)14/h3-7,12,17H,2H2,1H3
InChIKeyCKNWJNMELOELGI-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.26
Rot. Bonds3

About (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol

(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol (PubChem CID 66134745) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
PubChem CID66134745
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1cccc(F)c1F
InChIInChI=1S/C12H12F2N2O/c1-2-16-7-15-6-10(16)12(17)8-4-3-5-9(13)11(8)14/h3-7,12,17H,2H2,1H3
InChIKeyCKNWJNMELOELGI-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66164038
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
CID 103142939
(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135362
(3-ethylimidazol-4-yl)-thiophen-2-ylmethanol
CID 66135577
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol (CID 66134745) is (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol is CCn1cncc1C(O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol?
The InChIKey is CKNWJNMELOELGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-16-7-15-6-10(16)12(17)8-4-3-5-9(13)11(8)14/h3-7,12,17H,2H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol?
(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol has a molecular weight of 238.24 g/mol, XLogP of 2.26, 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-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 66134745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).