(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol

C12H13FN2O — CID 106881131

IUPAC(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol
SMILESCc1cc(C)c(C(O)c2ncc[nH]2)c(F)c1
InChIInChI=1S/C12H13FN2O/c1-7-5-8(2)10(9(13)6-7)11(16)12-14-3-4-15-12/h3-6,11,16H,1-2H3,(H,14,15)
InChIKeyFOPRLQRTTBTCHJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.25
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol

(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol (PubChem CID 106881131) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol
PubChem CID106881131
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol
SMILESCc1cc(C)c(C(O)c2ncc[nH]2)c(F)c1
InChIInChI=1S/C12H13FN2O/c1-7-5-8(2)10(9(13)6-7)11(16)12-14-3-4-15-12/h3-6,11,16H,1-2H3,(H,14,15)
InChIKeyFOPRLQRTTBTCHJ-UHFFFAOYSA-N
XLogP2.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol (CID 106881131) is (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol is Cc1cc(C)c(C(O)c2ncc[nH]2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol?
The InChIKey is FOPRLQRTTBTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-5-8(2)10(9(13)6-7)11(16)12-14-3-4-15-12/h3-6,11,16H,1-2H3,(H,14,15).
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol?
(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol has a molecular weight of 220.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 106881131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).