N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide

C34H43N7O4 — CID 58742675

About N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide

N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide (PubChem CID 58742675) has the molecular formula C34H43N7O4 and a molecular weight of 613.76 g/mol. Its IUPAC name is N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide
• PubChem CID: 58742675
• Molecular Formula: C34H43N7O4
• Molecular Weight: 613.76 g/mol
• Exact Mass: 613.34
• IUPAC Name: N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide
• SMILES: CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(CN3CCNC(=O)C3)cc1)n2CCCN1CCCC1=O
• InChI: InChI=1S/C34H43N7O4/c1-38(32(44)20-24-6-2-3-7-24)27-13-14-29-28(21-27)36-34(41(29)18-5-17-40-16-4-8-31(40)43)37-33(45)26-11-9-25(10-12-26)22-39-19-15-35-30(42)23-39/h9-14,21,24H,2-8,15-20,22-23H2,1H3,(H,35,42)(H,36,37,45)
• InChIKey: IDGXFLNOMVZCLM-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 119.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.76
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide?

The IUPAC name of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide (CID 58742675) is N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide.

What is the SMILES notation for N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide?

The canonical SMILES for N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide is CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(CN3CCNC(=O)C3)cc1)n2CCCN1CCCC1=O.

What is the InChIKey of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide?

The InChIKey is IDGXFLNOMVZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O4/c1-38(32(44)20-24-6-2-3-7-24)27-13-14-29-28(21-27)36-34(41(29)18-5-17-40-16-4-8-31(40)43)37-33(45)26-11-9-25(10-12-26)22-39-19-15-35-30(42)23-39/h9-14,21,24H,2-8,15-20,22-23H2,1H3,(H,35,42)(H,36,37,45).

What are the key properties of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide?

N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide has a molecular weight of 613.76 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 58742675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).