N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide

C33H35N5O5 — CID 58742879

About N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide (PubChem CID 58742879) has the molecular formula C33H35N5O5 and a molecular weight of 581.67 g/mol. Its IUPAC name is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide
• PubChem CID: 58742879
• Molecular Formula: C33H35N5O5
• Molecular Weight: 581.67 g/mol
• Exact Mass: 581.26
• IUPAC Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide
• SMILES: CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc(CC3OCCO3)c1)n2CCCN1CCCC1=O
• InChI: InChI=1S/C33H35N5O5/c1-36(32(41)24-9-3-2-4-10-24)26-13-14-28-27(22-26)34-33(38(28)17-7-16-37-15-6-12-29(37)39)35-31(40)25-11-5-8-23(20-25)21-30-42-18-19-43-30/h2-5,8-11,13-14,20,22,30H,6-7,12,15-19,21H2,1H3,(H,34,35,40)
• InChIKey: YYNRWRAFQXICGF-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 106.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.67
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide (CID 58742879) is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide.

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

The canonical SMILES for N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc(CC3OCCO3)c1)n2CCCN1CCCC1=O.

What is the InChIKey of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide?

The InChIKey is YYNRWRAFQXICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O5/c1-36(32(41)24-9-3-2-4-10-24)26-13-14-28-27(22-26)34-33(38(28)17-7-16-37-15-6-12-29(37)39)35-31(40)25-11-5-8-23(20-25)21-30-42-18-19-43-30/h2-5,8-11,13-14,20,22,30H,6-7,12,15-19,21H2,1H3,(H,34,35,40).

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

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide has a molecular weight of 581.67 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 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]-3-(1,3-dioxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 58742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).