5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride

C34H33Cl3N4OS — CID 126616404

About 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride

5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 126616404) has the molecular formula C34H33Cl3N4OS and a molecular weight of 652.09 g/mol. Its IUPAC name is 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride
• PubChem CID: 126616404
• Molecular Formula: C34H33Cl3N4OS
• Molecular Weight: 652.09 g/mol
• Exact Mass: 650.14
• IUPAC Name: 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride
• SMILES: Cl.NC(=O)c1csc(CN2CCC(n3c(C4CC4)nc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc43)CC2)c1
• InChI: InChI=1S/C34H32Cl2N4OS.ClH/c35-26-8-3-21(4-9-26)32(22-5-10-27(36)11-6-22)24-7-12-30-31(18-24)40(34(38-30)23-1-2-23)28-13-15-39(16-14-28)19-29-17-25(20-42-29)33(37)41;/h3-12,17-18,20,23,28,32H,1-2,13-16,19H2,(H2,37,41);1H
• InChIKey: FDSVANUBURAPNW-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 64.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.09
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride?

The IUPAC name of 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride (CID 126616404) is 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride.

What is the SMILES notation for 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride?

The canonical SMILES for 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride is Cl.NC(=O)c1csc(CN2CCC(n3c(C4CC4)nc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc43)CC2)c1.

What is the InChIKey of 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride?

The InChIKey is FDSVANUBURAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N4OS.ClH/c35-26-8-3-21(4-9-26)32(22-5-10-27(36)11-6-22)24-7-12-30-31(18-24)40(34(38-30)23-1-2-23)28-13-15-39(16-14-28)19-29-17-25(20-42-29)33(37)41;/h3-12,17-18,20,23,28,32H,1-2,13-16,19H2,(H2,37,41);1H.

What are the key properties of 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride?

5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 652.09 g/mol, XLogP of 8.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 126616404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).