4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione

C23H21N5O2 — CID 11452333

IUPAC4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,24,25)
InChIKeyUEXAJGWZPXRZGA-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.26
Rot. Bonds5

About 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione

4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione (PubChem CID 11452333) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione
PubChem CID11452333
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,24,25)
InChIKeyUEXAJGWZPXRZGA-UHFFFAOYSA-N
XLogP3.26
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

Etc-159
CID 86280523
3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
CID 128784
8-(4-Pyridyl)theophylline
CID 121006
1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo(2,1-f)purine-2,4-dione
CID 11209919
Ins018_055
CID 164938183
1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine
CID 447371
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
1-benzyl-3-(3-fluorophenyl)-7H-purine-2,6-dione
CID 2822876
Pimefyllin
CID 65597
8-(3-Pyridyl)theophylline
CID 100380
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-
CID 3069971
7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CID 663276

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione (CID 11452333) is 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione is CCCn1c(=O)c2c(nc3[nH]c(-c4ccccc4)cn32)n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione?
The InChIKey is UEXAJGWZPXRZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,24,25).
What are the key properties of 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione?
4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione has a molecular weight of 399.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-phenyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 11452333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).