4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide

C35H36Cl3N5O2 — CID 67638390

About 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide

4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide (PubChem CID 67638390) has the molecular formula C35H36Cl3N5O2 and a molecular weight of 665.07 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
• PubChem CID: 67638390
• Molecular Formula: C35H36Cl3N5O2
• Molecular Weight: 665.07 g/mol
• Exact Mass: 663.19
• IUPAC Name: 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
• SMILES: CCC(c1ccc(Cl)c(Cl)c1)C(N1CCC(Nc2nc3c(Cc4ccco4)cccc3[nH]2)CC1)N(C)C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C35H36Cl3N5O2/c1-3-28(23-11-14-29(37)30(38)21-23)33(42(2)34(44)22-9-12-25(36)13-10-22)43-17-15-26(16-18-43)39-35-40-31-8-4-6-24(32(31)41-35)20-27-7-5-19-45-27/h4-14,19,21,26,28,33H,3,15-18,20H2,1-2H3,(H2,39,40,41)
• InChIKey: HDLSQMDJPIOBTN-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 77.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.07
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?

The IUPAC name of 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide (CID 67638390) is 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide.

What is the SMILES notation for 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?

The canonical SMILES for 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide is CCC(c1ccc(Cl)c(Cl)c1)C(N1CCC(Nc2nc3c(Cc4ccco4)cccc3[nH]2)CC1)N(C)C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?

The InChIKey is HDLSQMDJPIOBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36Cl3N5O2/c1-3-28(23-11-14-29(37)30(38)21-23)33(42(2)34(44)22-9-12-25(36)13-10-22)43-17-15-26(16-18-43)39-35-40-31-8-4-6-24(32(31)41-35)20-27-7-5-19-45-27/h4-14,19,21,26,28,33H,3,15-18,20H2,1-2H3,(H2,39,40,41).

What are the key properties of 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide?

4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide has a molecular weight of 665.07 g/mol, XLogP of 8.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(3,4-dichlorophenyl)-1-[4-[[4-(furan-2-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide is sourced from PubChem (CID 67638390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).