[1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H22N2O4 — CID 53484068

IUPAC[1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(C)c(-c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-13-6-8-14(9-7-13)21-22-16(12-23(21)2)19(24)15-10-17(25-3)20(27-5)18(11-15)26-4/h6-12H,1-5H3
InChIKeyAAXZBPGIFMJMRG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.65
Rot. Bonds6

About [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53484068) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53484068
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(C)c(-c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-13-6-8-14(9-7-13)21-22-16(12-23(21)2)19(24)15-10-17(25-3)20(27-5)18(11-15)26-4/h6-12H,1-5H3
InChIKeyAAXZBPGIFMJMRG-UHFFFAOYSA-N
XLogP3.65
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 53484068) is [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(C)c(-c3ccc(C)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is AAXZBPGIFMJMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-6-8-14(9-7-13)21-22-16(12-23(21)2)19(24)15-10-17(25-3)20(27-5)18(11-15)26-4/h6-12H,1-5H3.
What are the key properties of [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 366.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53484068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).