[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol

C12H13FN2O — CID 106717550

IUPAC[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
SMILESCc1ccc(F)cc1Cn1cnc(CO)c1
InChIInChI=1S/C12H13FN2O/c1-9-2-3-11(13)4-10(9)5-15-6-12(7-16)14-8-15/h2-4,6,8,16H,5,7H2,1H3
InChIKeyJHYWKOQXAULDLU-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.87
Rot. Bonds3

About [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol

[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol (PubChem CID 106717550) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
PubChem CID106717550
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
SMILESCc1ccc(F)cc1Cn1cnc(CO)c1
InChIInChI=1S/C12H13FN2O/c1-9-2-3-11(13)4-10(9)5-15-6-12(7-16)14-8-15/h2-4,6,8,16H,5,7H2,1H3
InChIKeyJHYWKOQXAULDLU-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
4-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106717623
N-[2-[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 102619765
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
CID 106720781
N-[[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719617
[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
CID 106717495
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 105372607
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
CID 141132122
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol (CID 106717550) is [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol is Cc1ccc(F)cc1Cn1cnc(CO)c1.
What is the InChIKey of [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is JHYWKOQXAULDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-2-3-11(13)4-10(9)5-15-6-12(7-16)14-8-15/h2-4,6,8,16H,5,7H2,1H3.
What are the key properties of [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol?
[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 220.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106717550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).