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

C10H9N3O3 — CID 82996970

IUPAC2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccc3c(c2)OCO3)C(=O)N1
InChIInChI=1S/C10H9N3O3/c11-10-12-8(9(14)13-10)5-1-2-6-7(3-5)16-4-15-6/h1-3,8H,4H2,(H3,11,12,13,14)
InChIKeyUPVKDUFUEQLVTF-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.10
Rot. Bonds1

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

2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one (PubChem CID 82996970) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one
PubChem CID82996970
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2ccc3c(c2)OCO3)C(=O)N1
InChIInChI=1S/C10H9N3O3/c11-10-12-8(9(14)13-10)5-1-2-6-7(3-5)16-4-15-6/h1-3,8H,4H2,(H3,11,12,13,14)
InChIKeyUPVKDUFUEQLVTF-UHFFFAOYSA-N
XLogP-0.10
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1,3-benzodioxol-5-ylmethyl)amino](imino)methyl]benzamide
CID 2945670
(2R)-2-[[amino-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[(4-fluoro-3-methoxyphenyl)methyl]propanamide
CID 90286018
5-(2H-1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione
CID 2829817
2-Anilino-4-(1,3-benzodioxol-5-ylmethyl)-1,4-dihydroimidazol-5-one
CID 168279846
methyl N-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23275095
(2R)-2-[[amino-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 90285134
(2R)-2-[[amino-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 90285525
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide
CID 90285602
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-phenylpropanamide
CID 90285907
(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]propanamide
CID 16126269
2,4-Imidazolidinedione, 5-(1,3-benzodioxol-5-ylmethyl)-
CID 584746
N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 20905400

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one (CID 82996970) is 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one is NC1=NC(c2ccc3c(c2)OCO3)C(=O)N1.
What is the InChIKey of 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is UPVKDUFUEQLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-10-12-8(9(14)13-10)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 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one?
2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 219.20 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-benzodioxol-5-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82996970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).