N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide

C27H32ClN5O2 — CID 59655172

About N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide

N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 59655172) has the molecular formula C27H32ClN5O2 and a molecular weight of 494.04 g/mol. Its IUPAC name is N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

• Compound Name: N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
• PubChem CID: 59655172
• Molecular Formula: C27H32ClN5O2
• Molecular Weight: 494.04 g/mol
• Exact Mass: 493.22
• IUPAC Name: N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
• SMILES: Cc1cc(C(=O)NC(CN2CCCCC2)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)N1CCCC1
• InChI: InChI=1S/C27H32ClN5O2/c1-18-15-19(7-9-21(18)27(35)33-13-5-6-14-33)26(34)31-24(17-32-11-3-2-4-12-32)25-29-22-10-8-20(28)16-23(22)30-25/h7-10,15-16,24H,2-6,11-14,17H2,1H3,(H,29,30)(H,31,34)
• InChIKey: HRBWDPPYTOUCGW-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.04
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

The IUPAC name of N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide (CID 59655172) is N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide.

What is the SMILES notation for N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

The canonical SMILES for N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide is Cc1cc(C(=O)NC(CN2CCCCC2)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)N1CCCC1.

What is the InChIKey of N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

The InChIKey is HRBWDPPYTOUCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O2/c1-18-15-19(7-9-21(18)27(35)33-13-5-6-14-33)26(34)31-24(17-32-11-3-2-4-12-32)25-29-22-10-8-20(28)16-23(22)30-25/h7-10,15-16,24H,2-6,11-14,17H2,1H3,(H,29,30)(H,31,34).

What are the key properties of N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide?

N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 494.04 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-piperidin-1-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 59655172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).