N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

C26H27N5O2 — CID 16966796

About N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 16966796) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 16966796
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
• SMILES: CC(NC(=O)c1ccccn1)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
• InChI: InChI=1S/C26H27N5O2/c1-18(2)31(20-11-5-4-6-12-20)24(32)17-30-23-15-8-7-13-21(23)29-25(30)19(3)28-26(33)22-14-9-10-16-27-22/h4-16,18-19H,17H2,1-3H3,(H,28,33)
• InChIKey: GICATPBSPVZALO-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (CID 16966796) is N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccccn1)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C.

What is the InChIKey of N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is GICATPBSPVZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18(2)31(20-11-5-4-6-12-20)24(32)17-30-23-15-8-7-13-21(23)29-25(30)19(3)28-26(33)22-14-9-10-16-27-22/h4-16,18-19H,17H2,1-3H3,(H,28,33).

What are the key properties of N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).