2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione

C20H23N5O2 — CID 6492681

IUPAC2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12
InChIInChI=1S/C20H23N5O2/c1-5-11-23-13(2)14(3)25-16-17(21-19(23)25)22(4)20(27)24(18(16)26)12-15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3
InChIKeyQBSFZGDJOYJEEA-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.22
Rot. Bonds4

About 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione

2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6492681) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
PubChem CID6492681
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12
InChIInChI=1S/C20H23N5O2/c1-5-11-23-13(2)14(3)25-16-17(21-19(23)25)22(4)20(27)24(18(16)26)12-15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3
InChIKeyQBSFZGDJOYJEEA-UHFFFAOYSA-N
XLogP2.22
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-butyl-4,7,8-trimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 7520710
6-benzyl-2-(2-methoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4898207
4,7,8-trimethyl-2,6-bis[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 16623568
2-benzyl-4,7,8-trimethyl-6-[(1S)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione
CID 41366081
6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7520700
2-[(4-bromophenyl)methyl]-6-(2-chloroethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 44903765
6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 3163148
4,7,8-trimethyl-6-(1-phenylethyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16614361
6-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 18524908
2-benzyl-6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16811596
2-[(3-chlorophenyl)methyl]-6-(3-ethoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 6485031
2-[(3-chlorophenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 3163168

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione (CID 6492681) is 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione is CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12.
What is the InChIKey of 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is QBSFZGDJOYJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-5-11-23-13(2)14(3)25-16-17(21-19(23)25)22(4)20(27)24(18(16)26)12-15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3.
What are the key properties of 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione?
2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 365.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6492681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).