(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol

C12H13FN2O — CID 66117981

IUPAC(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
SMILESCc1ccc(F)c(C(O)c2cncn2C)c1
InChIInChI=1S/C12H13FN2O/c1-8-3-4-10(13)9(5-8)12(16)11-6-14-7-15(11)2/h3-7,12,16H,1-2H3
InChIKeyLGCLESNBCPMKJI-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.95
Rot. Bonds2

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

(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 66117981) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID66117981
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
SMILESCc1ccc(F)c(C(O)c2cncn2C)c1
InChIInChI=1S/C12H13FN2O/c1-8-3-4-10(13)9(5-8)12(16)11-6-14-7-15(11)2/h3-7,12,16H,1-2H3
InChIKeyLGCLESNBCPMKJI-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66162043
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772
(2-fluoro-5-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 62509973
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
(2,3-difluoro-4-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 107516130

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol (CID 66117981) is (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol is Cc1ccc(F)c(C(O)c2cncn2C)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is LGCLESNBCPMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-3-4-10(13)9(5-8)12(16)11-6-14-7-15(11)2/h3-7,12,16H,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol?
(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 220.25 g/mol, XLogP of 1.95, 2 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-methylimidazol-4-yl)methanol is sourced from PubChem (CID 66117981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).