1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone

C19H18N2O2 — CID 132512555

IUPAC1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)nc(-c3ccccc3)n2C)cc1
InChIInChI=1S/C19H18N2O2/c1-13(22)17-18(14-9-11-16(23-3)12-10-14)21(2)19(20-17)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyPGWXIUAOPOCDNS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.97
Rot. Bonds4

About 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone

1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone (PubChem CID 132512555) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
PubChem CID132512555
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)nc(-c3ccccc3)n2C)cc1
InChIInChI=1S/C19H18N2O2/c1-13(22)17-18(14-9-11-16(23-3)12-10-14)21(2)19(20-17)15-7-5-4-6-8-15/h4-12H,1-3H3
InChIKeyPGWXIUAOPOCDNS-UHFFFAOYSA-N
XLogP3.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
5-(4-methoxyphenyl)-1-methyl-2-methylsulfanylimidazole-4-carboxylic acid
CID 117224932
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone
CID 70275745
N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide
CID 172597021
2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide
CID 10540772
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone (CID 132512555) is 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone is COc1ccc(-c2c(C(C)=O)nc(-c3ccccc3)n2C)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone?
The InChIKey is PGWXIUAOPOCDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(22)17-18(14-9-11-16(23-3)12-10-14)21(2)19(20-17)15-7-5-4-6-8-15/h4-12H,1-3H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone?
1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone is sourced from PubChem (CID 132512555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).