7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

C25H24N6O3 — CID 3435586

IUPAC7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)n(C)c1=O
InChIInChI=1S/C25H24N6O3/c1-28-23-22(24(33)29(2)25(28)34)31(16-27-23)14-19(32)13-30-15-26-20(17-9-5-3-6-10-17)21(30)18-11-7-4-8-12-18/h3-12,15-16,19,32H,13-14H2,1-2H3
InChIKeyMQXWFYKOYHGBCX-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.03
Rot. Bonds6

About 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 3435586) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
PubChem CID3435586
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)n(C)c1=O
InChIInChI=1S/C25H24N6O3/c1-28-23-22(24(33)29(2)25(28)34)31(16-27-23)14-19(32)13-30-15-26-20(17-9-5-3-6-10-17)21(30)18-11-7-4-8-12-18/h3-12,15-16,19,32H,13-14H2,1-2H3
InChIKeyMQXWFYKOYHGBCX-UHFFFAOYSA-N
XLogP2.03
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione
CID 6924084
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3,7-trimethylpurine-2,6-dione
CID 69348830
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methylpropanoic acid
CID 54398406
7-[2-hydroxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1,3-dimethylpurine-2,6-dione
CID 2950789
7-[2-hydroxy-3-(naphthalen-1-ylamino)propyl]-1,3-dimethylpurine-2,6-dione
CID 23964093
7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethylpurine-2,6-dione
CID 51312655
7-(2,2-dihydroxyethyl)-1,3-dimethylpurine-2,6-dione;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde
CID 175666286
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]formamide
CID 602117
7-(3-chloro-3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 70482858
7-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-1,3-dimethylpurine-2,6-dione
CID 6933232
7-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
CID 1034600
1-carbazol-9-yl-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
CID 2836174

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione (CID 3435586) is 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2CC(O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)n(C)c1=O.
What is the InChIKey of 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is MQXWFYKOYHGBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-28-23-22(24(33)29(2)25(28)34)31(16-27-23)14-19(32)13-30-15-26-20(17-9-5-3-6-10-17)21(30)18-11-7-4-8-12-18/h3-12,15-16,19,32H,13-14H2,1-2H3.
What are the key properties of 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione?
7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 456.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 3435586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).