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

C17H17N3O2 — CID 82145670

IUPAC2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
SMILESCC(CN)n1c(-c2ccccc2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C17H17N3O2/c1-11(9-18)20-14-8-16-15(21-10-22-16)7-13(14)19-17(20)12-5-3-2-4-6-12/h2-8,11H,9-10,18H2,1H3
InChIKeyGVQDPYZRLVKDEJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.95
Rot. Bonds3

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

2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine (PubChem CID 82145670) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
PubChem CID82145670
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
SMILESCC(CN)n1c(-c2ccccc2)nc2cc3c(cc21)OCO3
InChIInChI=1S/C17H17N3O2/c1-11(9-18)20-14-8-16-15(21-10-22-16)7-13(14)19-17(20)12-5-3-2-4-6-12/h2-8,11H,9-10,18H2,1H3
InChIKeyGVQDPYZRLVKDEJ-UHFFFAOYSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(methoxymethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 82145734
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
CID 82144800
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748670
2-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]acetic acid
CID 94748671
2-(2-phenyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetic acid
CID 94748982
[4-[(6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]phenyl]methanamine
CID 82150145
1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 118232219
6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82145246

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The IUPAC name of 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine (CID 82145670) is 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine.
What is the SMILES notation for 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The canonical SMILES for 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine is CC(CN)n1c(-c2ccccc2)nc2cc3c(cc21)OCO3.
What is the InChIKey of 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
The InChIKey is GVQDPYZRLVKDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(9-18)20-14-8-16-15(21-10-22-16)7-13(14)19-17(20)12-5-3-2-4-6-12/h2-8,11H,9-10,18H2,1H3.
What are the key properties of 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine?
2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine has a molecular weight of 295.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine is sourced from PubChem (CID 82145670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).