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

C28H24N6O3S — CID 25190527

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

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 25190527) has the molecular formula C28H24N6O3S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
• PubChem CID: 25190527
• Molecular Formula: C28H24N6O3S
• Molecular Weight: 524.61 g/mol
• Exact Mass: 524.16
• IUPAC Name: N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
• SMILES: CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cccnc3)s1)n2CCC(N)=O
• InChI: InChI=1S/C28H24N6O3S/c1-33(27(37)18-6-3-2-4-7-18)20-9-10-22-21(16-20)31-28(34(22)15-13-25(29)35)32-26(36)24-12-11-23(38-24)19-8-5-14-30-17-19/h2-12,14,16-17H,13,15H2,1H3,(H2,29,35)(H,31,32,36)
• InChIKey: DQTBORZYKZITIA-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 123.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.61
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide?

The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide (CID 25190527) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide.

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

The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cccnc3)s1)n2CCC(N)=O.

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

The InChIKey is DQTBORZYKZITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3S/c1-33(27(37)18-6-3-2-4-7-18)20-9-10-22-21(16-20)31-28(34(22)15-13-25(29)35)32-26(36)24-12-11-23(38-24)19-8-5-14-30-17-19/h2-12,14,16-17H,13,15H2,1H3,(H2,29,35)(H,31,32,36).

What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide?

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 524.61 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 25190527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).