6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one

C14H11N5O2 — CID 141173436

IUPAC6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one
SMILESCOc1ccc(-c2cn3c(=O)c4[nH]cnc4nc3[nH]2)cc1
InChIInChI=1S/C14H11N5O2/c1-21-9-4-2-8(3-5-9)10-6-19-13(20)11-12(16-7-15-11)18-14(19)17-10/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyICVXWKYDEYZQPD-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.57
Rot. Bonds2

About 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one

6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one (PubChem CID 141173436) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one
PubChem CID141173436
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one
SMILESCOc1ccc(-c2cn3c(=O)c4[nH]cnc4nc3[nH]2)cc1
InChIInChI=1S/C14H11N5O2/c1-21-9-4-2-8(3-5-9)10-6-19-13(20)11-12(16-7-15-11)18-14(19)17-10/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyICVXWKYDEYZQPD-UHFFFAOYSA-N
XLogP1.57
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-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

3-[4-hydroxy-3-(hydroxymethyl)butyl]-6-(4-methoxyphenyl)-5H-imidazo[1,2-a]purin-9-one
CID 155525804
3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 166788800
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
CID 23961931
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine
CID 136704313
2-(4-methoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 136668680
1,2-diamino-7H-purin-6-one
CID 15628862
2-amino-1-ethoxy-7H-purin-6-one
CID 174590702
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
2-amino-1-ethyl-7H-purin-6-one
CID 18378033
2-(methoxymethyl)-1,7-dihydropurin-6-one
CID 150327797

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one?
The IUPAC name of 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one (CID 141173436) is 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one?
The canonical SMILES for 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one is COc1ccc(-c2cn3c(=O)c4[nH]cnc4nc3[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one?
The InChIKey is ICVXWKYDEYZQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-21-9-4-2-8(3-5-9)10-6-19-13(20)11-12(16-7-15-11)18-14(19)17-10/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one?
6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one has a molecular weight of 281.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one is sourced from PubChem (CID 141173436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).