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

C19H21N3O2 — CID 82145714

IUPAC2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
SMILESCC(CN)n1c(CCc2ccccc2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C19H21N3O2/c1-13(11-20)22-16-10-18-17(23-12-24-18)9-15(16)21-19(22)8-7-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11-12,20H2,1H3
InChIKeyVBVKTJBPBRFDGX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.07
Rot. Bonds5

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

2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine (PubChem CID 82145714) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine.

Molecular Properties

Compound Name2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
PubChem CID82145714
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
SMILESCC(CN)n1c(CCc2ccccc2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C19H21N3O2/c1-13(11-20)22-16-10-18-17(23-12-24-18)9-15(16)21-19(22)8-7-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11-12,20H2,1H3
InChIKeyVBVKTJBPBRFDGX-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine with MolForge

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Related Compounds

2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145670
2-[6-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 82145734
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-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
4-[[6-(2-methylpropyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]methyl]aniline
CID 82150111
3-(6-benzyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propanenitrile
CID 82145710
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
CID 82145993
[4-[(6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]phenyl]methanamine
CID 82150145
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82145246
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
4-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]aniline
CID 82150109

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The IUPAC name of 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine (CID 82145714) is 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine.
What is the SMILES notation for 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The canonical SMILES for 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine is CC(CN)n1c(CCc2ccccc2)nc2cc3c(cc21)OCO3.
What is the InChIKey of 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
The InChIKey is VBVKTJBPBRFDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(11-20)22-16-10-18-17(23-12-24-18)9-15(16)21-19(22)8-7-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11-12,20H2,1H3.
What are the key properties of 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine?
2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine has a molecular weight of 323.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine is sourced from PubChem (CID 82145714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).