2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol

C14H18N2O — CID 107978156

IUPAC2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cn(C)cn2)c1
InChIInChI=1S/C14H18N2O/c1-10-4-11(2)6-12(5-10)7-14(17)13-8-16(3)9-15-13/h4-6,8-9,14,17H,7H2,1-3H3
InChIKeyKQMLBKINDJUWEC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.31
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol

2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol (PubChem CID 107978156) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
PubChem CID107978156
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cn(C)cn2)c1
InChIInChI=1S/C14H18N2O/c1-10-4-11(2)6-12(5-10)7-14(17)13-8-16(3)9-15-13/h4-6,8-9,14,17H,7H2,1-3H3
InChIKeyKQMLBKINDJUWEC-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978119
2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978204
1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 107978538
2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978250
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 114272638
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
4-chloro-1-(1-methylimidazol-4-yl)butane-1,2-diol
CID 171894848
1-(1-methylimidazol-4-yl)oct-7-en-1-ol
CID 107978815
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978417

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol (CID 107978156) is 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol is Cc1cc(C)cc(CC(O)c2cn(C)cn2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is KQMLBKINDJUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-11(2)6-12(5-10)7-14(17)13-8-16(3)9-15-13/h4-6,8-9,14,17H,7H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 107978156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).