3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide

C34H32Cl2N4O — CID 69220035

About 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide

3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide (PubChem CID 69220035) has the molecular formula C34H32Cl2N4O and a molecular weight of 583.56 g/mol. Its IUPAC name is 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide
• PubChem CID: 69220035
• Molecular Formula: C34H32Cl2N4O
• Molecular Weight: 583.56 g/mol
• Exact Mass: 582.20
• IUPAC Name: 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide
• SMILES: O=C(Nc1cccc(C2CCN(CCCc3cccc4[nH]c(-c5ccc(Cl)cc5)nc34)CC2)c1)c1cccc(Cl)c1
• InChI: InChI=1S/C34H32Cl2N4O/c35-28-14-12-25(13-15-28)33-38-31-11-3-5-24(32(31)39-33)8-4-18-40-19-16-23(17-20-40)26-6-2-10-30(22-26)37-34(41)27-7-1-9-29(36)21-27/h1-3,5-7,9-15,21-23H,4,8,16-20H2,(H,37,41)(H,38,39)
• InChIKey: IAYHRCODZWOXAI-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.56
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide?

The IUPAC name of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide (CID 69220035) is 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide.

What is the SMILES notation for 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide?

The canonical SMILES for 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide is O=C(Nc1cccc(C2CCN(CCCc3cccc4[nH]c(-c5ccc(Cl)cc5)nc34)CC2)c1)c1cccc(Cl)c1.

What is the InChIKey of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide?

The InChIKey is IAYHRCODZWOXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N4O/c35-28-14-12-25(13-15-28)33-38-31-11-3-5-24(32(31)39-33)8-4-18-40-19-16-23(17-20-40)26-6-2-10-30(22-26)37-34(41)27-7-1-9-29(36)21-27/h1-3,5-7,9-15,21-23H,4,8,16-20H2,(H,37,41)(H,38,39).

What are the key properties of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide?

3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide has a molecular weight of 583.56 g/mol, XLogP of 8.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)-1H-benzimidazol-4-yl]propyl]piperidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 69220035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).