1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine

C10H13N3O2 — CID 70342763

IUPAC1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine
SMILESNC1CN(C2Oc3ccccc3O2)CN1
InChIInChI=1S/C10H13N3O2/c11-9-5-13(6-12-9)10-14-7-3-1-2-4-8(7)15-10/h1-4,9-10,12H,5-6,11H2
InChIKeyWVXYSBMZPMBBCS-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.11
Rot. Bonds1

About 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine

1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine (PubChem CID 70342763) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine
PubChem CID70342763
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine
SMILESNC1CN(C2Oc3ccccc3O2)CN1
InChIInChI=1S/C10H13N3O2/c11-9-5-13(6-12-9)10-14-7-3-1-2-4-8(7)15-10/h1-4,9-10,12H,5-6,11H2
InChIKeyWVXYSBMZPMBBCS-UHFFFAOYSA-N
XLogP-0.11
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
The IUPAC name of 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine (CID 70342763) is 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
The canonical SMILES for 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine is NC1CN(C2Oc3ccccc3O2)CN1.
What is the InChIKey of 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
The InChIKey is WVXYSBMZPMBBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-9-5-13(6-12-9)10-14-7-3-1-2-4-8(7)15-10/h1-4,9-10,12H,5-6,11H2.
What are the key properties of 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine has a molecular weight of 207.23 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine is sourced from PubChem (CID 70342763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).