2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide

C25H28N4O3 — CID 42195933

About 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 42195933) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
• PubChem CID: 42195933
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
• SMILES: COc1ccc2nc(CCN(C)C(=O)c3ccc4nc(C5CCCCC5)oc4c3)[nH]c2c1
• InChI: InChI=1S/C25H28N4O3/c1-29(13-12-23-26-19-11-9-18(31-2)15-21(19)27-23)25(30)17-8-10-20-22(14-17)32-24(28-20)16-6-4-3-5-7-16/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,26,27)
• InChIKey: RAQOYHGRRGAOHD-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?

The IUPAC name of 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide (CID 42195933) is 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide.

What is the SMILES notation for 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?

The canonical SMILES for 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide is COc1ccc2nc(CCN(C)C(=O)c3ccc4nc(C5CCCCC5)oc4c3)[nH]c2c1.

What is the InChIKey of 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?

The InChIKey is RAQOYHGRRGAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-29(13-12-23-26-19-11-9-18(31-2)15-21(19)27-23)25(30)17-8-10-20-22(14-17)32-24(28-20)16-6-4-3-5-7-16/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,26,27).

What are the key properties of 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?

2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42195933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).