1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol

C13H16N2O — CID 63975146

IUPAC1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1nccn1C
InChIInChI=1S/C13H16N2O/c1-10-6-4-5-7-11(10)13(2,16)12-14-8-9-15(12)3/h4-9,16H,1-3H3
InChIKeyLXPYSERBNQLDRU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.98
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol

1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol (PubChem CID 63975146) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol
PubChem CID63975146
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1nccn1C
InChIInChI=1S/C13H16N2O/c1-10-6-4-5-7-11(10)13(2,16)12-14-8-9-15(12)3/h4-9,16H,1-3H3
InChIKeyLXPYSERBNQLDRU-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol (CID 63975146) is 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(C)(O)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol?
The InChIKey is LXPYSERBNQLDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-6-4-5-7-11(10)13(2,16)12-14-8-9-15(12)3/h4-9,16H,1-3H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol?
1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 63975146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).