N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide

C27H27BrN6O3 — CID 25155342

About N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide (PubChem CID 25155342) has the molecular formula C27H27BrN6O3 and a molecular weight of 563.46 g/mol. Its IUPAC name is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide
• PubChem CID: 25155342
• Molecular Formula: C27H27BrN6O3
• Molecular Weight: 563.46 g/mol
• Exact Mass: 562.13
• IUPAC Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide
• SMILES: CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cc(Br)c[nH]1)n2CCCN1CCCC1=O
• InChI: InChI=1S/C27H27BrN6O3/c1-32(26(37)18-7-3-2-4-8-18)20-10-11-23-21(16-20)30-27(31-25(36)22-15-19(28)17-29-22)34(23)14-6-13-33-12-5-9-24(33)35/h2-4,7-8,10-11,15-17,29H,5-6,9,12-14H2,1H3,(H,30,31,36)
• InChIKey: ZPHRFKSNSKPMRZ-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 103.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.46
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
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-bromo-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide (CID 25155342) is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide.

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

The canonical SMILES for N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cc(Br)c[nH]1)n2CCCN1CCCC1=O.

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

The InChIKey is ZPHRFKSNSKPMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN6O3/c1-32(26(37)18-7-3-2-4-8-18)20-10-11-23-21(16-20)30-27(31-25(36)22-15-19(28)17-29-22)34(23)14-6-13-33-12-5-9-24(33)35/h2-4,7-8,10-11,15-17,29H,5-6,9,12-14H2,1H3,(H,30,31,36).

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

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-bromo-1H-pyrrole-2-carboxamide has a molecular weight of 563.46 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 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-bromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 25155342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).