6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C26H29N5O2 — CID 78371606

IUPAC6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)N(C)C(=O)N3C)N1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N5O2/c1-17-18(2)31-22-23(28(3)26(33)29(4)24(22)32)27-25(31)30(17)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-23H,15-16H2,1-4H3
InChIKeyUEQRHZWIMYIJGI-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.67
Rot. Bonds5

About 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 78371606) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID78371606
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)N(C)C(=O)N3C)N1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N5O2/c1-17-18(2)31-22-23(28(3)26(33)29(4)24(22)32)27-25(31)30(17)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-23H,15-16H2,1-4H3
InChIKeyUEQRHZWIMYIJGI-UHFFFAOYSA-N
XLogP3.67
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

4,7,8-trimethyl-6-(2-methylpropyl)-2-(2-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283809
6-benzyl-4,7,8-trimethyl-2-propyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73327320
6-(2-hydroxyethyl)-4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 167997006
6-(2-methoxyethyl)-4,7,8-trimethyl-2-phenacyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73281377
4,7,8-trimethyl-2,6-bis[(4-methylphenyl)methyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283007
6-[2-(2-hydroxyethoxy)ethyl]-4,7,8-trimethyl-2-(2-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73280128
6-(3-methoxypropyl)-4,7,8-trimethyl-2-phenacyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78413533
6-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2,4,7-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 85474236
2-[(4-bromophenyl)methyl]-6-(2-hydroxyethyl)-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73280413
2-(2-methoxyethyl)-4,7,8-trimethyl-6-(2-methylphenyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78368229
2-[2-(4-fluorophenyl)-2-oxoethyl]-4,7,8-trimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73284266
7-benzyl-8-chloro-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 78170191

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 78371606) is 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=C(C)N2C(=NC3C2C(=O)N(C)C(=O)N3C)N1CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is UEQRHZWIMYIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-17-18(2)31-22-23(28(3)26(33)29(4)24(22)32)27-25(31)30(17)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-23H,15-16H2,1-4H3.
What are the key properties of 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 443.55 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-diphenylpropyl)-2,4,7,8-tetramethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 78371606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).