4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one

C10H9N3O3 — CID 79962095

IUPAC4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1ccc2c(c1)OCO2
InChIInChI=1S/C10H9N3O3/c11-9-8(12-10(14)13-9)5-1-2-6-7(3-5)16-4-15-6/h1-3,8H,4H2,(H3,11,12,13,14)
InChIKeyGLRJDVQSXPBSTI-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.54
Rot. Bonds1

About 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one

4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one (PubChem CID 79962095) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
PubChem CID79962095
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1ccc2c(c1)OCO2
InChIInChI=1S/C10H9N3O3/c11-9-8(12-10(14)13-9)5-1-2-6-7(3-5)16-4-15-6/h1-3,8H,4H2,(H3,11,12,13,14)
InChIKeyGLRJDVQSXPBSTI-UHFFFAOYSA-N
XLogP0.54
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
CID 79961739
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997
2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one
CID 82996970
4-amino-5-[4-(dimethylamino)phenyl]-1,5-dihydroimidazol-2-one
CID 79962105
(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
CID 749249
(1R,3aR,4S,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 92542340
(1S,2S,4S,5S)-2,4-bis(1,3-benzodioxol-5-yl)-3-azabicyclo[3.3.1]nonan-9-one
CID 100824865
(1R,2R,4R,5S)-2,4-bis(1,3-benzodioxol-5-yl)-3-azabicyclo[3.3.1]nonan-9-one
CID 7077442
(1R,5S)-1,5-bis(1,3-benzodioxol-5-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
CID 39320078
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 11631043
4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 56588805

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one (CID 79962095) is 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1c1ccc2c(c1)OCO2.
What is the InChIKey of 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
The InChIKey is GLRJDVQSXPBSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-9-8(12-10(14)13-9)5-1-2-6-7(3-5)16-4-15-6/h1-3,8H,4H2,(H3,11,12,13,14).
What are the key properties of 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one has a molecular weight of 219.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79962095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).