7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one

C19H20N6O — CID 165415167

IUPAC7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one
SMILESCC1=NC2=NC(CCc3nc(-c4ccccc4)cn3C)=NC(=O)C2N1C
InChIInChI=1S/C19H20N6O/c1-12-20-18-17(25(12)3)19(26)23-15(22-18)9-10-16-21-14(11-24(16)2)13-7-5-4-6-8-13/h4-8,11,17H,9-10H2,1-3H3
InChIKeyMAZFJYTYRJNZHZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.09
Rot. Bonds4

About 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one

7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one (PubChem CID 165415167) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one.

Molecular Properties

Compound Name7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one
PubChem CID165415167
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one
SMILESCC1=NC2=NC(CCc3nc(-c4ccccc4)cn3C)=NC(=O)C2N1C
InChIInChI=1S/C19H20N6O/c1-12-20-18-17(25(12)3)19(26)23-15(22-18)9-10-16-21-14(11-24(16)2)13-7-5-4-6-8-13/h4-8,11,17H,9-10H2,1-3H3
InChIKeyMAZFJYTYRJNZHZ-UHFFFAOYSA-N
XLogP2.09
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zolpidem
CID 5732
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-2-(2-Phenyl-1h-Imidazol-1-Yl)-7,8-Dihydropteridin-6(5h)-One
CID 58405631
1-methyl-4-phenyl-1H-imidazole
CID 2748782
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
2-[2-Fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile
CID 9841060
5-Fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile
CID 10406330
3-Fluoro-2-[2-fluoro-5-(7-methyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzonitrile
CID 44409159
N-acetyl-N-(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)acetamide
CID 9557161
N,N-dimethyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanamide
CID 25190475
N-cyclohexyl-N-methyl-4-(pyridin-3-yl)-1H-imidazole-1-carboxamide
CID 66554294

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one?
The IUPAC name of 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one (CID 165415167) is 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one.
What is the SMILES notation for 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one?
The canonical SMILES for 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one is CC1=NC2=NC(CCc3nc(-c4ccccc4)cn3C)=NC(=O)C2N1C.
What is the InChIKey of 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one?
The InChIKey is MAZFJYTYRJNZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-20-18-17(25(12)3)19(26)23-15(22-18)9-10-16-21-14(11-24(16)2)13-7-5-4-6-8-13/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one?
7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one has a molecular weight of 348.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one is sourced from PubChem (CID 165415167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).