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

C27H26N2O4 — CID 56671844

IUPAC[1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(Cc3ccccc3)c(-c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O4/c1-18-10-12-20(13-11-18)27-28-22(17-29(27)16-19-8-6-5-7-9-19)25(30)21-14-23(31-2)26(33-4)24(15-21)32-3/h5-15,17H,16H2,1-4H3
InChIKeyGPXBFILDUZJQND-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.16
Rot. Bonds8

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

[1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56671844) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56671844
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(Cc3ccccc3)c(-c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O4/c1-18-10-12-20(13-11-18)27-28-22(17-29(27)16-19-8-6-5-7-9-19)25(30)21-14-23(31-2)26(33-4)24(15-21)32-3/h5-15,17H,16H2,1-4H3
InChIKeyGPXBFILDUZJQND-UHFFFAOYSA-N
XLogP5.16
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 56671844) is [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(Cc3ccccc3)c(-c3ccc(C)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GPXBFILDUZJQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-18-10-12-20(13-11-18)27-28-22(17-29(27)16-19-8-6-5-7-9-19)25(30)21-14-23(31-2)26(33-4)24(15-21)32-3/h5-15,17H,16H2,1-4H3.
What are the key properties of [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 442.52 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-2-(4-methylphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56671844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).