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

C16H23N3O2 — CID 79498611

IUPAC5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23N3O2/c1-3-8-19-15(17)18-10-16(19,2)7-6-12-4-5-13-14(9-12)21-11-20-13/h4-5,9H,3,6-8,10-11H2,1-2H3,(H2,17,18)
InChIKeyOFINXMJVGLJPCO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.15
Rot. Bonds5

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

5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine (PubChem CID 79498611) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine
PubChem CID79498611
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23N3O2/c1-3-8-19-15(17)18-10-16(19,2)7-6-12-4-5-13-14(9-12)21-11-20-13/h4-5,9H,3,6-8,10-11H2,1-2H3,(H2,17,18)
InChIKeyOFINXMJVGLJPCO-UHFFFAOYSA-N
XLogP2.15
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yl)-N-ethyl-6-methylheptan-1-amine
CID 4891899
5-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-piperidino-3,5-dihydro-4H-imidazol-4-one
CID 135854229
(5S)-5-butan-2-yl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 16745884
3-(1,3-Benzodioxol-4-ylmethyl)piperidine-1-carboximidamide
CID 137656935
1H-Imidazole, 4,5-dihydro-2-((1,3-benzodioxol-5-yl)methyl)-, monohydrochloride
CID 3086486
1H-Imidazole, 4,5-dihydro-2-(2-(1,3-benzodioxol-5-yl)ethyl)-, monohydrochloride
CID 3086492
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 12348315
(3r)-3-[(2h-1,3-Benzodioxol-4-Yl)methyl]piperidine-1-Carboximidamide
CID 123132938
N-[3-(1,3-benzodioxol-5-yl)propyl]butan-1-amine
CID 134979211
1-[3-(1,3-Benzodioxol-5-yl)-6-methylheptyl]pyrrolidine
CID 4895449
1-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-N-methylpyrrolidin-3-amine
CID 86780434
8-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 97934177

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The IUPAC name of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine (CID 79498611) is 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine is CCCN1C(N)=NCC1(C)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The InChIKey is OFINXMJVGLJPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-8-19-15(17)18-10-16(19,2)7-6-12-4-5-13-14(9-12)21-11-20-13/h4-5,9H,3,6-8,10-11H2,1-2H3,(H2,17,18).
What are the key properties of 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1-propyl-4H-imidazol-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 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-propyl-4H-imidazol-2-amine is sourced from PubChem (CID 79498611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).