1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one

C12H10N6O2 — CID 144839440

IUPAC1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]c2cccnc2[nH]1.O=c1[nH]ccc2nccn12
InChIInChI=1S/2C6H5N3O/c10-6-8-2-1-5-7-3-4-9(5)6;10-6-8-4-2-1-3-7-5(4)9-6/h1-4H,(H,8,10);1-3H,(H2,7,8,9,10)
InChIKeyHIXMCEPQFYLXII-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.27
Rot. Bonds

About 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one

1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 144839440) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID144839440
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]c2cccnc2[nH]1.O=c1[nH]ccc2nccn12
InChIInChI=1S/2C6H5N3O/c10-6-8-2-1-5-7-3-4-9(5)6;10-6-8-4-2-1-3-7-5(4)9-6/h1-4H,(H,8,10);1-3H,(H2,7,8,9,10)
InChIKeyHIXMCEPQFYLXII-UHFFFAOYSA-N
XLogP0.27
TPSA111.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
CID 91665917
1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 68856140
3-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 151573633
6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 142707108
1,3-dihydroimidazo[1,2-a]purin-2-one
CID 141173434
methanethiol;1H-pyrrolo[2,3-b]pyridine
CID 145094604
pyrimido[1,2-c]pyrimidin-6-one
CID 156697085
7-bromo-2,5,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11,13-dione
CID 171792782
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
CID 146146742
3-(3-bromo-2-pyridinyl)-1H-imidazol-2-one
CID 103124108
4,5-dihydropurino[7,8-a]imidazole-1,3-dione
CID 67119876

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one (CID 144839440) is 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one is O=c1[nH]c2cccnc2[nH]1.O=c1[nH]ccc2nccn12.
What is the InChIKey of 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is HIXMCEPQFYLXII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5N3O/c10-6-8-2-1-5-7-3-4-9(5)6;10-6-8-4-2-1-3-7-5(4)9-6/h1-4H,(H,8,10);1-3H,(H2,7,8,9,10).
What are the key properties of 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one?
1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 270.25 g/mol, XLogP of 0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazo[4,5-b]pyridin-2-one;6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 144839440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).