2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C15H19N3O2 — CID 82336593

IUPAC2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(c1nc2cc3c(cc2[nH]1)OCCO3)N1CCCC1
InChIInChI=1S/C15H19N3O2/c1-10(18-4-2-3-5-18)15-16-11-8-13-14(9-12(11)17-15)20-7-6-19-13/h8-10H,2-7H2,1H3,(H,16,17)
InChIKeyBWEUEUQGFJTTTC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.49
Rot. Bonds2

About 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 82336593) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID82336593
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(c1nc2cc3c(cc2[nH]1)OCCO3)N1CCCC1
InChIInChI=1S/C15H19N3O2/c1-10(18-4-2-3-5-18)15-16-11-8-13-14(9-12(11)17-15)20-7-6-19-13/h8-10H,2-7H2,1H3,(H,16,17)
InChIKeyBWEUEUQGFJTTTC-UHFFFAOYSA-N
XLogP2.49
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 82336593) is 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is CC(c1nc2cc3c(cc2[nH]1)OCCO3)N1CCCC1.
What is the InChIKey of 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is BWEUEUQGFJTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(18-4-2-3-5-18)15-16-11-8-13-14(9-12(11)17-15)20-7-6-19-13/h8-10H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 273.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 82336593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).