5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

C14H19N3O3 — CID 79505005

IUPAC5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19N3O3/c1-14(8-16-13(15)17(14)5-6-18-2)10-3-4-11-12(7-10)20-9-19-11/h3-4,7H,5-6,8-9H2,1-2H3,(H2,15,16)
InChIKeyXLSAEZIEBXODBB-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.91
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79505005) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79505005
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19N3O3/c1-14(8-16-13(15)17(14)5-6-18-2)10-3-4-11-12(7-10)20-9-19-11/h3-4,7H,5-6,8-9H2,1-2H3,(H2,15,16)
InChIKeyXLSAEZIEBXODBB-UHFFFAOYSA-N
XLogP0.91
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79505005) is 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is XLSAEZIEBXODBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(8-16-13(15)17(14)5-6-18-2)10-3-4-11-12(7-10)20-9-19-11/h3-4,7H,5-6,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 277.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79505005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).