3H-[1,4]dioxino[2,3-e]benzimidazole

C9H6N2O2 — CID 57357367

IUPAC3H-[1,4]dioxino[2,3-e]benzimidazole
SMILESC1=COc2c(ccc3[nH]cnc23)O1
InChIInChI=1S/C9H6N2O2/c1-2-7-9(13-4-3-12-7)8-6(1)10-5-11-8/h1-5H,(H,10,11)
InChIKeySLDFOURMKCIXTG-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.81
Rot. Bonds

About 3H-[1,4]dioxino[2,3-e]benzimidazole

3H-[1,4]dioxino[2,3-e]benzimidazole (PubChem CID 57357367) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3H-[1,4]dioxino[2,3-e]benzimidazole.

Molecular Properties

Compound Name3H-[1,4]dioxino[2,3-e]benzimidazole
PubChem CID57357367
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name3H-[1,4]dioxino[2,3-e]benzimidazole
SMILESC1=COc2c(ccc3[nH]cnc23)O1
InChIInChI=1S/C9H6N2O2/c1-2-7-9(13-4-3-12-7)8-6(1)10-5-11-8/h1-5H,(H,10,11)
InChIKeySLDFOURMKCIXTG-UHFFFAOYSA-N
XLogP1.81
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-[1,4]dioxino[2,3-e]benzimidazole?
The IUPAC name of 3H-[1,4]dioxino[2,3-e]benzimidazole (CID 57357367) is 3H-[1,4]dioxino[2,3-e]benzimidazole.
What is the SMILES notation for 3H-[1,4]dioxino[2,3-e]benzimidazole?
The canonical SMILES for 3H-[1,4]dioxino[2,3-e]benzimidazole is C1=COc2c(ccc3[nH]cnc23)O1.
What is the InChIKey of 3H-[1,4]dioxino[2,3-e]benzimidazole?
The InChIKey is SLDFOURMKCIXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c1-2-7-9(13-4-3-12-7)8-6(1)10-5-11-8/h1-5H,(H,10,11).
What are the key properties of 3H-[1,4]dioxino[2,3-e]benzimidazole?
3H-[1,4]dioxino[2,3-e]benzimidazole has a molecular weight of 174.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,4]dioxino[2,3-e]benzimidazole is sourced from PubChem (CID 57357367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).