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

C32H30N6O3S — CID 11342222

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

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 11342222) has the molecular formula C32H30N6O3S and a molecular weight of 578.70 g/mol. Its IUPAC name is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide
• PubChem CID: 11342222
• Molecular Formula: C32H30N6O3S
• Molecular Weight: 578.70 g/mol
• Exact Mass: 578.21
• IUPAC Name: N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide
• SMILES: CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccncc3)s1)n2CCCN1CCCC1=O
• InChI: InChI=1S/C32H30N6O3S/c1-36(31(41)23-7-3-2-4-8-23)24-10-11-26-25(21-24)34-32(38(26)20-6-19-37-18-5-9-29(37)39)35-30(40)28-13-12-27(42-28)22-14-16-33-17-15-22/h2-4,7-8,10-17,21H,5-6,9,18-20H2,1H3,(H,34,35,40)
• InChIKey: QBUYVSKPARMCSB-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.70
LogP ≤ 5	5.70
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]-5-pyridin-4-ylthiophene-2-carboxamide?

The IUPAC name of N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 11342222) is N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide.

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

The canonical SMILES for N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccncc3)s1)n2CCCN1CCCC1=O.

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

The InChIKey is QBUYVSKPARMCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O3S/c1-36(31(41)23-7-3-2-4-8-23)24-10-11-26-25(21-24)34-32(38(26)20-6-19-37-18-5-9-29(37)39)35-30(40)28-13-12-27(42-28)22-14-16-33-17-15-22/h2-4,7-8,10-17,21H,5-6,9,18-20H2,1H3,(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]-5-pyridin-4-ylthiophene-2-carboxamide?

N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 578.70 g/mol, XLogP of 5.70, 9 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]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 11342222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).