1,3-dihydroimidazo[1,2-a]purin-2-one

C7H5N5O — CID 141173434

IUPAC1,3-dihydroimidazo[1,2-a]purin-2-one
SMILESO=c1[nH]c2cn3ccnc3nc2[nH]1
InChIInChI=1S/C7H5N5O/c13-7-9-4-3-12-2-1-8-6(12)10-5(4)11-7/h1-3H,(H2,8,9,10,11,13)
InChIKeyPTXCQVFUACNJRK-UHFFFAOYSA-N
MW175.15 g/mol
LogP-0.10
Rot. Bonds

About 1,3-dihydroimidazo[1,2-a]purin-2-one

1,3-dihydroimidazo[1,2-a]purin-2-one (PubChem CID 141173434) has the molecular formula C7H5N5O and a molecular weight of 175.15 g/mol. Its IUPAC name is 1,3-dihydroimidazo[1,2-a]purin-2-one.

Molecular Properties

Compound Name1,3-dihydroimidazo[1,2-a]purin-2-one
PubChem CID141173434
Molecular FormulaC7H5N5O
Molecular Weight175.15 g/mol
Exact Mass175.05
IUPAC Name1,3-dihydroimidazo[1,2-a]purin-2-one
SMILESO=c1[nH]c2cn3ccnc3nc2[nH]1
InChIInChI=1S/C7H5N5O/c13-7-9-4-3-12-2-1-8-6(12)10-5(4)11-7/h1-3H,(H2,8,9,10,11,13)
InChIKeyPTXCQVFUACNJRK-UHFFFAOYSA-N
XLogP-0.10
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 68856140
6,7-dimethylimidazo[1,2-a]pyrimidine;ethane
CID 91587654
7-chloro-6-methylimidazo[1,2-a]pyrimidine
CID 90134066
2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8,10,12-hexaene
CID 138584151
5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 167937463
7-bromoimidazo[1,2-a]pyrimidine
CID 73012932
6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 144579589
1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one
CID 144839440
2-chloroimidazo[1,2-a]pyrimidine
CID 14517580
2-iodoimidazo[1,2-a]pyrimidine
CID 122431358
2-pyridin-2-ylimidazo[1,2-a]pyrimidine
CID 70500058
imidazo[1,2-a]pyrimidine
CID 577018

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazo[1,2-a]purin-2-one?
The IUPAC name of 1,3-dihydroimidazo[1,2-a]purin-2-one (CID 141173434) is 1,3-dihydroimidazo[1,2-a]purin-2-one.
What is the SMILES notation for 1,3-dihydroimidazo[1,2-a]purin-2-one?
The canonical SMILES for 1,3-dihydroimidazo[1,2-a]purin-2-one is O=c1[nH]c2cn3ccnc3nc2[nH]1.
What is the InChIKey of 1,3-dihydroimidazo[1,2-a]purin-2-one?
The InChIKey is PTXCQVFUACNJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O/c13-7-9-4-3-12-2-1-8-6(12)10-5(4)11-7/h1-3H,(H2,8,9,10,11,13).
What are the key properties of 1,3-dihydroimidazo[1,2-a]purin-2-one?
1,3-dihydroimidazo[1,2-a]purin-2-one has a molecular weight of 175.15 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazo[1,2-a]purin-2-one is sourced from PubChem (CID 141173434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).