4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide

C30H25N3O — CID 51699804

IUPAC4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(-c3ccccc3)nc(-c3ccccc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H25N3O/c1-21-13-17-25(18-14-21)30(34)32-29-27(23-9-5-3-6-10-23)31-28(24-11-7-4-8-12-24)33(29)26-19-15-22(2)16-20-26/h3-20H,1-2H3,(H,32,34)
InChIKeyQPIYAKCKCMUYND-UHFFFAOYSA-N
MW443.55 g/mol
LogP7.08
Rot. Bonds5

About 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide

4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide (PubChem CID 51699804) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
PubChem CID51699804
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC Name4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(-c3ccccc3)nc(-c3ccccc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H25N3O/c1-21-13-17-25(18-14-21)30(34)32-29-27(23-9-5-3-6-10-23)31-28(24-11-7-4-8-12-24)33(29)26-19-15-22(2)16-20-26/h3-20H,1-2H3,(H,32,34)
InChIKeyQPIYAKCKCMUYND-UHFFFAOYSA-N
XLogP7.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide (CID 51699804) is 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide is Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc(-c3ccccc3)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide?
The InChIKey is QPIYAKCKCMUYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O/c1-21-13-17-25(18-14-21)30(34)32-29-27(23-9-5-3-6-10-23)31-28(24-11-7-4-8-12-24)33(29)26-19-15-22(2)16-20-26/h3-20H,1-2H3,(H,32,34).
What are the key properties of 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide?
4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide is sourced from PubChem (CID 51699804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).