2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine

C13H17N3O3 — CID 82145734

IUPAC2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
SMILESCOCc1nc2cc3c(cc2n1C(C)CN)OCO3
InChIInChI=1S/C13H17N3O3/c1-8(5-14)16-10-4-12-11(18-7-19-12)3-9(10)15-13(16)6-17-2/h3-4,8H,5-7,14H2,1-2H3
InChIKeyHDYQQZNSMGDBHN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.43
Rot. Bonds4

About 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine

2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine (PubChem CID 82145734) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine.

Molecular Properties

Compound Name2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
PubChem CID82145734
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
SMILESCOCc1nc2cc3c(cc2n1C(C)CN)OCO3
InChIInChI=1S/C13H17N3O3/c1-8(5-14)16-10-4-12-11(18-7-19-12)3-9(10)15-13(16)6-17-2/h3-4,8H,5-7,14H2,1-2H3
InChIKeyHDYQQZNSMGDBHN-UHFFFAOYSA-N
XLogP1.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(methoxymethyl)-[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-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 82145714
2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145607
2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145633
2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145670
4-[[6-(2-methylpropyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]methyl]aniline
CID 82150111
[4-[(6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]phenyl]methanamine
CID 82150145
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
CID 82145993
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82145246
2-(2-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanoic acid
CID 82145806
2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine
CID 94748598
2-[2-[2-(2-methylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethoxy]ethanamine
CID 94748968
4-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butan-1-amine
CID 82145615

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The IUPAC name of 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine (CID 82145734) is 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine.
What is the SMILES notation for 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The canonical SMILES for 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine is COCc1nc2cc3c(cc2n1C(C)CN)OCO3.
What is the InChIKey of 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The InChIKey is HDYQQZNSMGDBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(5-14)16-10-4-12-11(18-7-19-12)3-9(10)15-13(16)6-17-2/h3-4,8H,5-7,14H2,1-2H3.
What are the key properties of 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine has a molecular weight of 263.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine is sourced from PubChem (CID 82145734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).