1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine

C17H15N3O2 — CID 53316759

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine
SMILESNc1ncc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O2/c18-17-19-9-14(13-4-2-1-3-5-13)20(17)10-12-6-7-15-16(8-12)22-11-21-15/h1-9H,10-11H2,(H2,18,19)
InChIKeyQJXVFJLPEPBYIY-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.91
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine

1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine (PubChem CID 53316759) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine
PubChem CID53316759
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine
SMILESNc1ncc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O2/c18-17-19-9-14(13-4-2-1-3-5-13)20(17)10-12-6-7-15-16(8-12)22-11-21-15/h1-9H,10-11H2,(H2,18,19)
InChIKeyQJXVFJLPEPBYIY-UHFFFAOYSA-N
XLogP2.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-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 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine (CID 53316759) is 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine is Nc1ncc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine?
The InChIKey is QJXVFJLPEPBYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-17-19-9-14(13-4-2-1-3-5-13)20(17)10-12-6-7-15-16(8-12)22-11-21-15/h1-9H,10-11H2,(H2,18,19).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine?
1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine is sourced from PubChem (CID 53316759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).