4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide

C37H26Cl2F3N3O2 — CID 58231269

About 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide

4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide (PubChem CID 58231269) has the molecular formula C37H26Cl2F3N3O2 and a molecular weight of 672.53 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide
• PubChem CID: 58231269
• Molecular Formula: C37H26Cl2F3N3O2
• Molecular Weight: 672.53 g/mol
• Exact Mass: 671.14
• IUPAC Name: 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc(-c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)cc2)cc1
• InChI: InChI=1S/C37H26Cl2F3N3O2/c1-43-36(46)26-9-14-29(15-10-26)45-22-34(32-18-13-28(38)21-33(32)39)44-35(45)19-23-5-7-24(8-6-23)25-11-16-30(17-12-25)47-31-4-2-3-27(20-31)37(40,41)42/h2-18,20-22H,19H2,1H3,(H,43,46)
• InChIKey: BNECQHHJLWYKGZ-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.53
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide?

The IUPAC name of 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide (CID 58231269) is 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide.

What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide?

The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide is CNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc(-c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)cc2)cc1.

What is the InChIKey of 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide?

The InChIKey is BNECQHHJLWYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26Cl2F3N3O2/c1-43-36(46)26-9-14-29(15-10-26)45-22-34(32-18-13-28(38)21-33(32)39)44-35(45)19-23-5-7-24(8-6-23)25-11-16-30(17-12-25)47-31-4-2-3-27(20-31)37(40,41)42/h2-18,20-22H,19H2,1H3,(H,43,46).

What are the key properties of 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide?

4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide has a molecular weight of 672.53 g/mol, XLogP of 10.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide is sourced from PubChem (CID 58231269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).