2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol

C11H12N2O3 — CID 82149388

IUPAC2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
SMILESCc1nc2cc3c(cc2n1CCO)OCO3
InChIInChI=1S/C11H12N2O3/c1-7-12-8-4-10-11(16-6-15-10)5-9(8)13(7)2-3-14/h4-5,14H,2-3,6H2,1H3
InChIKeyPJDRRFXNJSJPRO-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.07
Rot. Bonds2

About 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol

2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol (PubChem CID 82149388) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol.

Molecular Properties

Compound Name2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
PubChem CID82149388
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
SMILESCc1nc2cc3c(cc2n1CCO)OCO3
InChIInChI=1S/C11H12N2O3/c1-7-12-8-4-10-11(16-6-15-10)5-9(8)13(7)2-3-14/h4-5,14H,2-3,6H2,1H3
InChIKeyPJDRRFXNJSJPRO-UHFFFAOYSA-N
XLogP1.07
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol?
The IUPAC name of 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol (CID 82149388) is 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol.
What is the SMILES notation for 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol?
The canonical SMILES for 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol is Cc1nc2cc3c(cc2n1CCO)OCO3.
What is the InChIKey of 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol?
The InChIKey is PJDRRFXNJSJPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-12-8-4-10-11(16-6-15-10)5-9(8)13(7)2-3-14/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol?
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol has a molecular weight of 220.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol is sourced from PubChem (CID 82149388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).