1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone

C12H12N2O3 — CID 134105125

IUPAC1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone
SMILESCOc1ccc(O)c(C(=O)Cn2ccnc2)c1
InChIInChI=1S/C12H12N2O3/c1-17-9-2-3-11(15)10(6-9)12(16)7-14-5-4-13-8-14/h2-6,8,15H,7H2,1H3
InChIKeySCWQXIOJPVEOKQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.48
Rot. Bonds4

About 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone

1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone (PubChem CID 134105125) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone
PubChem CID134105125
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone
SMILESCOc1ccc(O)c(C(=O)Cn2ccnc2)c1
InChIInChI=1S/C12H12N2O3/c1-17-9-2-3-11(15)10(6-9)12(16)7-14-5-4-13-8-14/h2-6,8,15H,7H2,1H3
InChIKeySCWQXIOJPVEOKQ-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide
CID 17473230
methyl (E)-2-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102231690
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
2-imidazol-1-yl-1-(4-methoxyphenyl)-N-methylethanimine oxide
CID 14085920
1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 58728327
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
1-(4-cyclopentyl-2-methylphenyl)-2-imidazol-1-ylethanone
CID 20561718
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 1112620

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone (CID 134105125) is 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone is COc1ccc(O)c(C(=O)Cn2ccnc2)c1.
What is the InChIKey of 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone?
The InChIKey is SCWQXIOJPVEOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-9-2-3-11(15)10(6-9)12(16)7-14-5-4-13-8-14/h2-6,8,15H,7H2,1H3.
What are the key properties of 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone?
1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone has a molecular weight of 232.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 134105125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).