N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

C32H34Cl2F3N5O — CID 153271798

About N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 153271798) has the molecular formula C32H34Cl2F3N5O and a molecular weight of 632.56 g/mol. Its IUPAC name is N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
• PubChem CID: 153271798
• Molecular Formula: C32H34Cl2F3N5O
• Molecular Weight: 632.56 g/mol
• Exact Mass: 631.21
• IUPAC Name: N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
• SMILES: Cc1ccc(N2CCN(c3cc4c(cc3Cl)nc(Cc3cc(CNC(=O)C(C)(C)C(F)(F)F)ccc3Cl)n4C)CC2)cc1
• InChI: InChI=1S/C32H34Cl2F3N5O/c1-20-5-8-23(9-6-20)41-11-13-42(14-12-41)27-18-28-26(17-25(27)34)39-29(40(28)4)16-22-15-21(7-10-24(22)33)19-38-30(43)31(2,3)32(35,36)37/h5-10,15,17-18H,11-14,16,19H2,1-4H3,(H,38,43)
• InChIKey: WXGWIBDUFUZQQH-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.56
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?

The IUPAC name of N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 153271798) is N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

What is the SMILES notation for N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?

The canonical SMILES for N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is Cc1ccc(N2CCN(c3cc4c(cc3Cl)nc(Cc3cc(CNC(=O)C(C)(C)C(F)(F)F)ccc3Cl)n4C)CC2)cc1.

What is the InChIKey of N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?

The InChIKey is WXGWIBDUFUZQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2F3N5O/c1-20-5-8-23(9-6-20)41-11-13-42(14-12-41)27-18-28-26(17-25(27)34)39-29(40(28)4)16-22-15-21(7-10-24(22)33)19-38-30(43)31(2,3)32(35,36)37/h5-10,15,17-18H,11-14,16,19H2,1-4H3,(H,38,43).

What are the key properties of N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?

N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 632.56 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 153271798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).