3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide

C29H37Cl2N5O2 — CID 59655317

About 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide

3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide (PubChem CID 59655317) has the molecular formula C29H37Cl2N5O2 and a molecular weight of 558.55 g/mol. Its IUPAC name is 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide
• PubChem CID: 59655317
• Molecular Formula: C29H37Cl2N5O2
• Molecular Weight: 558.55 g/mol
• Exact Mass: 557.23
• IUPAC Name: 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide
• SMILES: CCN(CC)CCCC1CCCCN1C(=O)c1ccc(C(=O)NC(C)c2nc3ccc(Cl)cc3[nH]2)cc1Cl
• InChI: InChI=1S/C29H37Cl2N5O2/c1-4-35(5-2)15-8-10-22-9-6-7-16-36(22)29(38)23-13-11-20(17-24(23)31)28(37)32-19(3)27-33-25-14-12-21(30)18-26(25)34-27/h11-14,17-19,22H,4-10,15-16H2,1-3H3,(H,32,37)(H,33,34)
• InChIKey: CVWSUMDPPSOEEH-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.55
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide?

The IUPAC name of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide (CID 59655317) is 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide.

What is the SMILES notation for 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide?

The canonical SMILES for 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide is CCN(CC)CCCC1CCCCN1C(=O)c1ccc(C(=O)NC(C)c2nc3ccc(Cl)cc3[nH]2)cc1Cl.

What is the InChIKey of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide?

The InChIKey is CVWSUMDPPSOEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37Cl2N5O2/c1-4-35(5-2)15-8-10-22-9-6-7-16-36(22)29(38)23-13-11-20(17-24(23)31)28(37)32-19(3)27-33-25-14-12-21(30)18-26(25)34-27/h11-14,17-19,22H,4-10,15-16H2,1-3H3,(H,32,37)(H,33,34).

What are the key properties of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide?

3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide has a molecular weight of 558.55 g/mol, XLogP of 6.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(diethylamino)propyl]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 59655317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).