5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine

C13H17N3O2 — CID 79510222

IUPAC5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine
SMILESCC1(CCc2ccc3c(c2)OCO3)CN=C(N)N1
InChIInChI=1S/C13H17N3O2/c1-13(7-15-12(14)16-13)5-4-9-2-3-10-11(6-9)18-8-17-10/h2-3,6H,4-5,7-8H2,1H3,(H3,14,15,16)
InChIKeyLOALOIONSLHIFA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.02
Rot. Bonds3

About 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine

5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine (PubChem CID 79510222) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine
PubChem CID79510222
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine
SMILESCC1(CCc2ccc3c(c2)OCO3)CN=C(N)N1
InChIInChI=1S/C13H17N3O2/c1-13(7-15-12(14)16-13)5-4-9-2-3-10-11(6-9)18-8-17-10/h2-3,6H,4-5,7-8H2,1H3,(H3,14,15,16)
InChIKeyLOALOIONSLHIFA-UHFFFAOYSA-N
XLogP1.02
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine
CID 79498611
4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione
CID 63156202
4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpyrrolidin-2-one
CID 66109327
5-[2-(1,3-benzodioxol-5-yl)ethyl]-6-[6-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole
CID 172870982
2-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-1,3-dihydroquinazolin-4-one
CID 2920345
4-(1,3-benzodioxol-5-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 24696093
5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
7-N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-N,2,3-trimethyl-3,6-dihydro-2H-1,4-diazepine-5,7-diamine
CID 157365188
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51106618
[1-amino-2-(1,3-benzodioxol-5-yl)ethylidene]azanium
CID 6346816
2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methylsulfanyl-1H-imidazole
CID 159731485

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine?
The IUPAC name of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine (CID 79510222) is 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine.
What is the SMILES notation for 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine?
The canonical SMILES for 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine is CC1(CCc2ccc3c(c2)OCO3)CN=C(N)N1.
What is the InChIKey of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine?
The InChIKey is LOALOIONSLHIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(7-15-12(14)16-13)5-4-9-2-3-10-11(6-9)18-8-17-10/h2-3,6H,4-5,7-8H2,1H3,(H3,14,15,16).
What are the key properties of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine?
5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine is sourced from PubChem (CID 79510222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).