(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C25H22N2O4 — CID 102234991

IUPAC(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O4/c1-29-19-14-18(15-20(30-2)24(19)31-3)23(28)25-26-21(16-10-6-4-7-11-16)22(27-25)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,26,27)
InChIKeyYTJMCNPJFJMAMC-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.00
Rot. Bonds7

About (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 102234991) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID102234991
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O4/c1-29-19-14-18(15-20(30-2)24(19)31-3)23(28)25-26-21(16-10-6-4-7-11-16)22(27-25)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,26,27)
InChIKeyYTJMCNPJFJMAMC-UHFFFAOYSA-N
XLogP5.00
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 102234991) is (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YTJMCNPJFJMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-19-14-18(15-20(30-2)24(19)31-3)23(28)25-26-21(16-10-6-4-7-11-16)22(27-25)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,26,27).
What are the key properties of (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 414.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 102234991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).