(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol

C13H16N2O — CID 107978292

IUPAC(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
SMILESCc1cccc(C(O)c2cn(C)cn2)c1C
InChIInChI=1S/C13H16N2O/c1-9-5-4-6-11(10(9)2)13(16)12-7-15(3)8-14-12/h4-8,13,16H,1-3H3
InChIKeyOOSOZDOKOJNSGK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds2

About (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol

(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol (PubChem CID 107978292) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
PubChem CID107978292
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
SMILESCc1cccc(C(O)c2cn(C)cn2)c1C
InChIInChI=1S/C13H16N2O/c1-9-5-4-6-11(10(9)2)13(16)12-7-15(3)8-14-12/h4-8,13,16H,1-3H3
InChIKeyOOSOZDOKOJNSGK-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
CID 134093732
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978736
(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol
CID 63988087
(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978535
(2,3-dimethylphenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373534
dichloromethane;4-[2-[hydroxy-(1-methylimidazol-4-yl)methyl]phenyl]benzonitrile
CID 91420117
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
CID 114023159
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977950
(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 107103544

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol?
The IUPAC name of (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol (CID 107978292) is (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol is Cc1cccc(C(O)c2cn(C)cn2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol?
The InChIKey is OOSOZDOKOJNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-4-6-11(10(9)2)13(16)12-7-15(3)8-14-12/h4-8,13,16H,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol?
(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol has a molecular weight of 216.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 107978292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).