2-imidazol-1-yl-1-(4-methylphenyl)ethanol

C12H14N2O — CID 3074053

IUPAC2-imidazol-1-yl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C12H14N2O/c1-10-2-4-11(5-3-10)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3
InChIKeyMDANYNDEFRYQQC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds3

About 2-imidazol-1-yl-1-(4-methylphenyl)ethanol

2-imidazol-1-yl-1-(4-methylphenyl)ethanol (PubChem CID 3074053) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-methylphenyl)ethanol
PubChem CID3074053
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-imidazol-1-yl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C12H14N2O/c1-10-2-4-11(5-3-10)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3
InChIKeyMDANYNDEFRYQQC-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-imidazol-1-yl-1-(4-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(4-methylphenyl)ethanol (CID 3074053) is 2-imidazol-1-yl-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)Cn2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-methylphenyl)ethanol?
The InChIKey is MDANYNDEFRYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-2-4-11(5-3-10)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-(4-methylphenyl)ethanol?
2-imidazol-1-yl-1-(4-methylphenyl)ethanol has a molecular weight of 202.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 3074053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).