6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C24H25N5O2 — CID 16812114

About 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 16812114) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
• PubChem CID: 16812114
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O
• InChI: InChI=1S/C24H25N5O2/c1-15-9-7-11-19(17(15)3)27-12-13-28-20-21(25-23(27)28)26(4)24(31)29(22(20)30)14-18-10-6-5-8-16(18)2/h5-11H,12-14H2,1-4H3
• InChIKey: VPKWJESNMMOGGV-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 65.06 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?

The IUPAC name of 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 16812114) is 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O.

What is the InChIKey of 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?

The InChIKey is VPKWJESNMMOGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-9-7-11-19(17(15)3)27-12-13-28-20-21(25-23(27)28)26(4)24(31)29(22(20)30)14-18-10-6-5-8-16(18)2/h5-11H,12-14H2,1-4H3.

What are the key properties of 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?

6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 415.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16812114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).