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

C10H13N3O2 — CID 70343153

IUPAC(4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine
SMILESN[C@H]1CN(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/t9-/m1/s1
InChIKeyWVXYSBMZPMBBCS-SECBINFHSA-N
MW207.23 g/mol
LogP-0.11
Rot. Bonds1

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

(4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine (PubChem CID 70343153) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine.

Molecular Properties

Compound Name(4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine
PubChem CID70343153
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine
SMILESN[C@H]1CN(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/t9-/m1/s1
InChIKeyWVXYSBMZPMBBCS-SECBINFHSA-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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 756402
N-[2-(propan-2-ylamino)-1,3-benzodioxol-2-yl]carbamic acid ethyl ester
CID 1540603
N-[2-(1,3-benzodioxol-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 40348
Dimethyl-[2-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]ethyl]azanium
CID 4601000
2-(1,3-Benzodioxol-2-ylamino)ethanol
CID 17775548
Spiro[1,3-benzodioxole-2,2'-imidazolidine]-4',5'-dione
CID 20374006
1-(1,3-Benzodioxol-2-yl)piperazine
CID 67780354
1-(1,3-Benzodioxol-2-yl)pyrrolidine
CID 69545634
1-(1,3-Benzodioxol-2-yl)imidazolidin-4-amine
CID 70342763
2-(1,3-Benzodioxol-2-yl)-2-methylimidazolidine
CID 70472965
2-(1,3-Benzodioxol-2-yl)-2-methylimidazolidine;hydrochloride
CID 70571376
1-(Phenoxymethyl)imidazolidine
CID 89695911

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
The IUPAC name of (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine (CID 70343153) is (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine.
What is the SMILES notation for (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
The canonical SMILES for (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine is N[C@H]1CN(C2Oc3ccccc3O2)CN1.
What is the InChIKey of (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
The InChIKey is WVXYSBMZPMBBCS-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine?
(4R)-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 (4R)-1-(1,3-benzodioxol-2-yl)imidazolidin-4-amine is sourced from PubChem (CID 70343153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).