N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

C24H28N6O3 — CID 167119483

About N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (PubChem CID 167119483) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
• PubChem CID: 167119483
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
• SMILES: Cc1cc2[nH]c(-c3n[nH]c4c3C3CC(C)(C4)C3)nc2cc1N(C)C(=O)CN1CCCOC1=O
• InChI: InChI=1S/C24H28N6O3/c1-13-7-15-16(8-18(13)29(3)19(31)12-30-5-4-6-33-23(30)32)26-22(25-15)21-20-14-9-24(2,10-14)11-17(20)27-28-21/h7-8,14H,4-6,9-12H2,1-3H3,(H,25,26)(H,27,28)
• InChIKey: VELUKPNDVHGOLQ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 107.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?

The IUPAC name of N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (CID 167119483) is N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.

What is the SMILES notation for N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?

The canonical SMILES for N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is Cc1cc2[nH]c(-c3n[nH]c4c3C3CC(C)(C4)C3)nc2cc1N(C)C(=O)CN1CCCOC1=O.

What is the InChIKey of N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?

The InChIKey is VELUKPNDVHGOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-13-7-15-16(8-18(13)29(3)19(31)12-30-5-4-6-33-23(30)32)26-22(25-15)21-20-14-9-24(2,10-14)11-17(20)27-28-21/h7-8,14H,4-6,9-12H2,1-3H3,(H,25,26)(H,27,28).

What are the key properties of N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?

N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide has a molecular weight of 448.53 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[6-methyl-2-(8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl)-1H-benzimidazol-5-yl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is sourced from PubChem (CID 167119483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).