N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine

C10H11N3O2 — CID 3086489

IUPACN-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc2c(cc1NC1=NCCN1)OCO2
InChIInChI=1S/C10H11N3O2/c1-2-8-9(15-6-14-8)5-7(1)13-10-11-3-4-12-10/h1-2,5H,3-4,6H2,(H2,11,12,13)
InChIKeyYSPUUFZLWUWKHF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.79
Rot. Bonds1

About N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 3086489) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID3086489
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc2c(cc1NC1=NCCN1)OCO2
InChIInChI=1S/C10H11N3O2/c1-2-8-9(15-6-14-8)5-7(1)13-10-11-3-4-12-10/h1-2,5H,3-4,6H2,(H2,11,12,13)
InChIKeyYSPUUFZLWUWKHF-UHFFFAOYSA-N
XLogP0.79
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 3086489) is N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine is c1cc2c(cc1NC1=NCCN1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is YSPUUFZLWUWKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-8-9(15-6-14-8)5-7(1)13-10-11-3-4-12-10/h1-2,5H,3-4,6H2,(H2,11,12,13).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 205.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 3086489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).