6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide

C26H18N6O2 — CID 58190896

About 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide

6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide (PubChem CID 58190896) has the molecular formula C26H18N6O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 58190896
• Molecular Formula: C26H18N6O2
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.15
• IUPAC Name: 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide
• SMILES: N#Cc1cccc(-c2ccc(C(=O)Nc3nc4c(C(=O)CC5=NC=CC5)cccc4[nH]3)cn2)c1
• InChI: InChI=1S/C26H18N6O2/c27-14-16-4-1-5-17(12-16)21-10-9-18(15-29-21)25(34)32-26-30-22-8-2-7-20(24(22)31-26)23(33)13-19-6-3-11-28-19/h1-5,7-12,15H,6,13H2,(H2,30,31,32,34)
• InChIKey: FURIDPASMJCSKO-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 123.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide (CID 58190896) is 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide is N#Cc1cccc(-c2ccc(C(=O)Nc3nc4c(C(=O)CC5=NC=CC5)cccc4[nH]3)cn2)c1.

What is the InChIKey of 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide?

The InChIKey is FURIDPASMJCSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O2/c27-14-16-4-1-5-17(12-16)21-10-9-18(15-29-21)25(34)32-26-30-22-8-2-7-20(24(22)31-26)23(33)13-19-6-3-11-28-19/h1-5,7-12,15H,6,13H2,(H2,30,31,32,34).

What are the key properties of 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide?

6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyanophenyl)-N-[4-[2-(3H-pyrrol-2-yl)acetyl]-1H-benzimidazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58190896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).