4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide

C20H18N4O2 — CID 163072536

About 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide

4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide (PubChem CID 163072536) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
• PubChem CID: 163072536
• Molecular Formula: C20H18N4O2
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.14
• IUPAC Name: 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
• SMILES: Cc1ccc2nc3n(c2c1)C(CNC(=O)c1ccc(C#N)cc1)COC3
• InChI: InChI=1S/C20H18N4O2/c1-13-2-7-17-18(8-13)24-16(11-26-12-19(24)23-17)10-22-20(25)15-5-3-14(9-21)4-6-15/h2-8,16H,10-12H2,1H3,(H,22,25)
• InChIKey: ICNLCUDSBPFQHG-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 79.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

The IUPAC name of 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide (CID 163072536) is 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide.

What is the SMILES notation for 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

The canonical SMILES for 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide is Cc1ccc2nc3n(c2c1)C(CNC(=O)c1ccc(C#N)cc1)COC3.

What is the InChIKey of 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

The InChIKey is ICNLCUDSBPFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-2-7-17-18(8-13)24-16(11-26-12-19(24)23-17)10-22-20(25)15-5-3-14(9-21)4-6-15/h2-8,16H,10-12H2,1H3,(H,22,25).

What are the key properties of 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 163072536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).