3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide

C29H35N5O3 — CID 59655114

About 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide

3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 59655114) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide
• PubChem CID: 59655114
• Molecular Formula: C29H35N5O3
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.27
• IUPAC Name: 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide
• SMILES: Cc1ccc2nc(C(CCC(=O)N3CCCC3)NC(=O)c3ccc(C(=O)N4CCCC4)c(C)c3)[nH]c2c1
• InChI: InChI=1S/C29H35N5O3/c1-19-7-10-23-25(17-19)31-27(30-23)24(11-12-26(35)33-13-3-4-14-33)32-28(36)21-8-9-22(20(2)18-21)29(37)34-15-5-6-16-34/h7-10,17-18,24H,3-6,11-16H2,1-2H3,(H,30,31)(H,32,36)
• InChIKey: BBGWIBXHBSKXIB-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 98.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide (CID 59655114) is 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide.

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

The canonical SMILES for 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide is Cc1ccc2nc(C(CCC(=O)N3CCCC3)NC(=O)c3ccc(C(=O)N4CCCC4)c(C)c3)[nH]c2c1.

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

The InChIKey is BBGWIBXHBSKXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-19-7-10-23-25(17-19)31-27(30-23)24(11-12-26(35)33-13-3-4-14-33)32-28(36)21-8-9-22(20(2)18-21)29(37)34-15-5-6-16-34/h7-10,17-18,24H,3-6,11-16H2,1-2H3,(H,30,31)(H,32,36).

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

3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 501.63 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutyl]-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 59655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).