4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide

C32H28F3N3O — CID 162545652

About 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide

4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide (PubChem CID 162545652) has the molecular formula C32H28F3N3O and a molecular weight of 527.59 g/mol. Its IUPAC name is 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide
• PubChem CID: 162545652
• Molecular Formula: C32H28F3N3O
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.22
• IUPAC Name: 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide
• SMILES: CC1=CCC(=c2c(-c3ccc(C)cc3)nc(=C3C=C(C(F)(F)F)C=CC3)n2Cc2ccc(C(N)=O)cc2)C=C1
• InChI: InChI=1S/C32H28F3N3O/c1-20-6-12-23(13-7-20)28-29(24-14-8-21(2)9-15-24)38(19-22-10-16-25(17-11-22)30(36)39)31(37-28)26-4-3-5-27(18-26)32(33,34)35/h3,5-14,16-18H,4,15,19H2,1-2H3,(H2,36,39)
• InChIKey: RVYDDGIHNACHFJ-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 60.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide?

The IUPAC name of 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide (CID 162545652) is 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide.

What is the SMILES notation for 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide?

The canonical SMILES for 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide is CC1=CCC(=c2c(-c3ccc(C)cc3)nc(=C3C=C(C(F)(F)F)C=CC3)n2Cc2ccc(C(N)=O)cc2)C=C1.

What is the InChIKey of 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide?

The InChIKey is RVYDDGIHNACHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N3O/c1-20-6-12-23(13-7-20)28-29(24-14-8-21(2)9-15-24)38(19-22-10-16-25(17-11-22)30(36)39)31(37-28)26-4-3-5-27(18-26)32(33,34)35/h3,5-14,16-18H,4,15,19H2,1-2H3,(H2,36,39).

What are the key properties of 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide?

4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide has a molecular weight of 527.59 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(4-methylcyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 162545652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).