1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone

C12H12N2O2 — CID 19045277

IUPAC1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone
SMILESCC(=O)c1cc(Cn2ccnc2)ccc1O
InChIInChI=1S/C12H12N2O2/c1-9(15)11-6-10(2-3-12(11)16)7-14-5-4-13-8-14/h2-6,8,16H,7H2,1H3
InChIKeyNDINXRQICVQLLH-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone

1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone (PubChem CID 19045277) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone
PubChem CID19045277
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone
SMILESCC(=O)c1cc(Cn2ccnc2)ccc1O
InChIInChI=1S/C12H12N2O2/c1-9(15)11-6-10(2-3-12(11)16)7-14-5-4-13-8-14/h2-6,8,16H,7H2,1H3
InChIKeyNDINXRQICVQLLH-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone 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 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone (CID 19045277) is 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone is CC(=O)c1cc(Cn2ccnc2)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone?
The InChIKey is NDINXRQICVQLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9(15)11-6-10(2-3-12(11)16)7-14-5-4-13-8-14/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone?
1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone has a molecular weight of 216.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(imidazol-1-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 19045277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).