4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide

C28H32N6O2 — CID 22040922

About 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide

4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 22040922) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide
• PubChem CID: 22040922
• Molecular Formula: C28H32N6O2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.26
• IUPAC Name: 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide
• SMILES: Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCC5CCCN5C)c4)ccc3n2C)cc1
• InChI: InChI=1S/C28H32N6O2/c1-19-6-8-20(9-7-19)31-28-32-24-17-22(10-11-26(24)34(28)3)36-23-13-15-29-25(18-23)27(35)30-14-12-21-5-4-16-33(21)2/h6-11,13,15,17-18,21H,4-5,12,14,16H2,1-3H3,(H,30,35)(H,31,32)
• InChIKey: QWBPRJVJDAKBFD-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide (CID 22040922) is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide is Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCC5CCCN5C)c4)ccc3n2C)cc1.

What is the InChIKey of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide?

The InChIKey is QWBPRJVJDAKBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-19-6-8-20(9-7-19)31-28-32-24-17-22(10-11-26(24)34(28)3)36-23-13-15-29-25(18-23)27(35)30-14-12-21-5-4-16-33(21)2/h6-11,13,15,17-18,21H,4-5,12,14,16H2,1-3H3,(H,30,35)(H,31,32).

What are the key properties of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide?

4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 22040922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).