2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide

C26H27N5O4 — CID 71194422

About 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide

2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide (PubChem CID 71194422) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide
• PubChem CID: 71194422
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide
• SMILES: COc1ncccc1-c1ccc(O)c(C2Nc3ccc(C(=O)NC4CCC(=O)N(C)C4)cc3N2)c1
• InChI: InChI=1S/C26H27N5O4/c1-31-14-17(7-10-23(31)33)28-25(34)16-5-8-20-21(13-16)30-24(29-20)19-12-15(6-9-22(19)32)18-4-3-11-27-26(18)35-2/h3-6,8-9,11-13,17,24,29-30,32H,7,10,14H2,1-2H3,(H,28,34)
• InChIKey: UJXWLLSFGZDGQM-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 115.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide (CID 71194422) is 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide is COc1ncccc1-c1ccc(O)c(C2Nc3ccc(C(=O)NC4CCC(=O)N(C)C4)cc3N2)c1.

What is the InChIKey of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?

The InChIKey is UJXWLLSFGZDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-31-14-17(7-10-23(31)33)28-25(34)16-5-8-20-21(13-16)30-24(29-20)19-12-15(6-9-22(19)32)18-4-3-11-27-26(18)35-2/h3-6,8-9,11-13,17,24,29-30,32H,7,10,14H2,1-2H3,(H,28,34).

What are the key properties of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?

2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71194422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).