N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide

C31H31N5O3 — CID 58742952

About N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide (PubChem CID 58742952) has the molecular formula C31H31N5O3 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide.

Molecular Properties

• Compound Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide
• PubChem CID: 58742952
• Molecular Formula: C31H31N5O3
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.24
• IUPAC Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide
• SMILES: C=Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1
• InChI: InChI=1S/C31H31N5O3/c1-3-22-12-14-23(15-13-22)29(38)33-31-32-26-21-25(34(2)30(39)24-9-5-4-6-10-24)16-17-27(26)36(31)20-8-19-35-18-7-11-28(35)37/h3-6,9-10,12-17,21H,1,7-8,11,18-20H2,2H3,(H,32,33,38)
• InChIKey: RGGIDXFRUUSEPO-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide?

The IUPAC name of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide (CID 58742952) is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide.

What is the SMILES notation for N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide?

The canonical SMILES for N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide is C=Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCCN2CCCC2=O)cc1.

What is the InChIKey of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide?

The InChIKey is RGGIDXFRUUSEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3/c1-3-22-12-14-23(15-13-22)29(38)33-31-32-26-21-25(34(2)30(39)24-9-5-4-6-10-24)16-17-27(26)36(31)20-8-19-35-18-7-11-28(35)37/h3-6,9-10,12-17,21H,1,7-8,11,18-20H2,2H3,(H,32,33,38).

What are the key properties of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide?

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide has a molecular weight of 521.62 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide is sourced from PubChem (CID 58742952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).