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

C29H37Cl2N5O2 — CID 69309834

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

3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide (PubChem CID 69309834) 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-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide
• PubChem CID: 69309834
• 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-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide
• SMILES: CCCCC(NCC)C1CCCCN1C(=O)c1ccc(C(=O)NC(C)c2nc3ccc(Cl)cc3[nH]2)cc1Cl
• InChI: InChI=1S/C29H37Cl2N5O2/c1-4-6-9-24(32-5-2)26-10-7-8-15-36(26)29(38)21-13-11-19(16-22(21)31)28(37)33-18(3)27-34-23-14-12-20(30)17-25(23)35-27/h11-14,16-18,24,26,32H,4-10,15H2,1-3H3,(H,33,37)(H,34,35)
• InChIKey: KPDQZSXFTCXDFV-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• 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	6.52
H-Bond Donors ≤ 5	3
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-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide?

The IUPAC name of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide (CID 69309834) is 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide.

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

The canonical SMILES for 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide is CCCCC(NCC)C1CCCCN1C(=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-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide?

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

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

3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide has a molecular weight of 558.55 g/mol, XLogP of 6.52, 10 rotatable bonds, 3 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-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 69309834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).