[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol

C13H15FN2O — CID 86688151

IUPAC[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol
SMILESCCn1cc(-c2ccc(F)c(C)c2)nc1CO
InChIInChI=1S/C13H15FN2O/c1-3-16-7-12(15-13(16)8-17)10-4-5-11(14)9(2)6-10/h4-7,17H,3,8H2,1-2H3
InChIKeyKSVAYRSRFJYNSW-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.51
Rot. Bonds3

About [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol

[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol (PubChem CID 86688151) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol
PubChem CID86688151
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol
SMILESCCn1cc(-c2ccc(F)c(C)c2)nc1CO
InChIInChI=1S/C13H15FN2O/c1-3-16-7-12(15-13(16)8-17)10-4-5-11(14)9(2)6-10/h4-7,17H,3,8H2,1-2H3
InChIKeyKSVAYRSRFJYNSW-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol?
The IUPAC name of [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol (CID 86688151) is [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol?
The canonical SMILES for [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol is CCn1cc(-c2ccc(F)c(C)c2)nc1CO.
What is the InChIKey of [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol?
The InChIKey is KSVAYRSRFJYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-16-7-12(15-13(16)8-17)10-4-5-11(14)9(2)6-10/h4-7,17H,3,8H2,1-2H3.
What are the key properties of [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol?
[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol has a molecular weight of 234.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol is sourced from PubChem (CID 86688151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).