N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide

C29H33N5O4 — CID 139447719

About N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide

N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 139447719) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
• PubChem CID: 139447719
• Molecular Formula: C29H33N5O4
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.25
• IUPAC Name: N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2CC(C)(C)O)ccn1
• InChI: InChI=1S/C29H33N5O4/c1-29(2,36)19-34-25-9-8-20(18-33-12-14-38-15-13-33)16-24(25)31-28(34)32-27(35)21-10-11-30-23(17-21)22-6-4-5-7-26(22)37-3/h4-11,16-17,36H,12-15,18-19H2,1-3H3,(H,31,32,35)
• InChIKey: FYMLJLBVLXOQGV-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 101.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?

The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (CID 139447719) is N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?

The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2CC(C)(C)O)ccn1.

What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?

The InChIKey is FYMLJLBVLXOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-29(2,36)19-34-25-9-8-20(18-33-12-14-38-15-13-33)16-24(25)31-28(34)32-27(35)21-10-11-30-23(17-21)22-6-4-5-7-26(22)37-3/h4-11,16-17,36H,12-15,18-19H2,1-3H3,(H,31,32,35).

What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?

N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 139447719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).