2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C20H17Cl2N5O3 — CID 41427686

About 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 41427686) has the molecular formula C20H17Cl2N5O3 and a molecular weight of 446.29 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
• PubChem CID: 41427686
• Molecular Formula: C20H17Cl2N5O3
• Molecular Weight: 446.29 g/mol
• Exact Mass: 445.07
• IUPAC Name: 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
• SMILES: Cn1c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)c2c1nc1n2CCN1Cc1ccco1
• InChI: InChI=1S/C20H17Cl2N5O3/c1-24-17-16(26-8-7-25(19(26)23-17)10-12-4-3-9-30-12)18(28)27(20(24)29)11-13-14(21)5-2-6-15(13)22/h2-6,9H,7-8,10-11H2,1H3
• InChIKey: QSQZVSIOFBMVIT-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 78.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.29
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 41427686) is 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)c2c1nc1n2CCN1Cc1ccco1.

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

The InChIKey is QSQZVSIOFBMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O3/c1-24-17-16(26-8-7-25(19(26)23-17)10-12-4-3-9-30-12)18(28)27(20(24)29)11-13-14(21)5-2-6-15(13)22/h2-6,9H,7-8,10-11H2,1H3.

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

2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 446.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 41427686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).