3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine

C18H19N3O2 — CID 94748670

IUPAC3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
SMILESCc1cccc(-c2nc3cc4c(cc3n2CCCN)OCO4)c1
InChIInChI=1S/C18H19N3O2/c1-12-4-2-5-13(8-12)18-20-14-9-16-17(23-11-22-16)10-15(14)21(18)7-3-6-19/h2,4-5,8-10H,3,6-7,11,19H2,1H3
InChIKeyWCPORSSSVQCAQP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.09
Rot. Bonds4

About 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine

3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine (PubChem CID 94748670) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
PubChem CID94748670
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
SMILESCc1cccc(-c2nc3cc4c(cc3n2CCCN)OCO4)c1
InChIInChI=1S/C18H19N3O2/c1-12-4-2-5-13(8-12)18-20-14-9-16-17(23-11-22-16)10-15(14)21(18)7-3-6-19/h2,4-5,8-10H,3,6-7,11,19H2,1H3
InChIKeyWCPORSSSVQCAQP-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-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

2-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]acetic acid
CID 94748671
2-[2-(1,3-benzodioxol-5-yl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 94750264
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
3-[6-(thiophen-2-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748726
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
4-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butan-1-amine
CID 82145615
2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82145196
4-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]butanenitrile
CID 82150504
3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 46308458
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837
2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145670

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The IUPAC name of 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine (CID 94748670) is 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The canonical SMILES for 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine is Cc1cccc(-c2nc3cc4c(cc3n2CCCN)OCO4)c1.
What is the InChIKey of 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The InChIKey is WCPORSSSVQCAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-4-2-5-13(8-12)18-20-14-9-16-17(23-11-22-16)10-15(14)21(18)7-3-6-19/h2,4-5,8-10H,3,6-7,11,19H2,1H3.
What are the key properties of 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine has a molecular weight of 309.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine is sourced from PubChem (CID 94748670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).