1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone

C12H12N2O2 — CID 135671326

IUPAC1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(O)cc2)[nH]c1C
InChIInChI=1S/C12H12N2O2/c1-7-11(8(2)15)14-12(13-7)9-3-5-10(16)6-4-9/h3-6,16H,1-2H3,(H,13,14)
InChIKeyWMGQVSXIMFWMHS-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.29
Rot. Bonds2

About 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone

1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone (PubChem CID 135671326) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
PubChem CID135671326
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(O)cc2)[nH]c1C
InChIInChI=1S/C12H12N2O2/c1-7-11(8(2)15)14-12(13-7)9-3-5-10(16)6-4-9/h3-6,16H,1-2H3,(H,13,14)
InChIKeyWMGQVSXIMFWMHS-UHFFFAOYSA-N
XLogP2.29
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone (CID 135671326) is 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone is CC(=O)c1nc(-c2ccc(O)cc2)[nH]c1C.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
The InChIKey is WMGQVSXIMFWMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-11(8(2)15)14-12(13-7)9-3-5-10(16)6-4-9/h3-6,16H,1-2H3,(H,13,14).
What are the key properties of 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone?
1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone is sourced from PubChem (CID 135671326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).