(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol

C14H17FN2O — CID 66162043

IUPAC(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCc1ccc(F)c(C(O)c2cncn2C(C)C)c1
InChIInChI=1S/C14H17FN2O/c1-9(2)17-8-16-7-13(17)14(18)11-6-10(3)4-5-12(11)15/h4-9,14,18H,1-3H3
InChIKeyMVTUBAUARPYVFA-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.99
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol

(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol (PubChem CID 66162043) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
PubChem CID66162043
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCc1ccc(F)c(C(O)c2cncn2C(C)C)c1
InChIInChI=1S/C14H17FN2O/c1-9(2)17-8-16-7-13(17)14(18)11-6-10(3)4-5-12(11)15/h4-9,14,18H,1-3H3
InChIKeyMVTUBAUARPYVFA-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818
(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
CID 66117981
(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66164038
(3-bromo-2,6-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 106941390
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 66163040
2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163449
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
CID 103142942
(2-fluoro-5-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 62509973
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol (CID 66162043) is (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol is Cc1ccc(F)c(C(O)c2cncn2C(C)C)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
The InChIKey is MVTUBAUARPYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9(2)17-8-16-7-13(17)14(18)11-6-10(3)4-5-12(11)15/h4-9,14,18H,1-3H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol?
(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol has a molecular weight of 248.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol is sourced from PubChem (CID 66162043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).