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

C16H20N2O2 — CID 66477298

IUPAC2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC1(C)C(c2nc3cc4c(cc3[nH]2)OCCO4)C1(C)C
InChIInChI=1S/C16H20N2O2/c1-15(2)13(16(15,3)4)14-17-9-7-11-12(8-10(9)18-14)20-6-5-19-11/h7-8,13H,5-6H2,1-4H3,(H,17,18)
InChIKeyRGTNAKXVOVKGDV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.48
Rot. Bonds1

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

2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 66477298) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID66477298
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC1(C)C(c2nc3cc4c(cc3[nH]2)OCCO4)C1(C)C
InChIInChI=1S/C16H20N2O2/c1-15(2)13(16(15,3)4)14-17-9-7-11-12(8-10(9)18-14)20-6-5-19-11/h7-8,13H,5-6H2,1-4H3,(H,17,18)
InChIKeyRGTNAKXVOVKGDV-UHFFFAOYSA-N
XLogP3.48
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 66477298) is 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is CC1(C)C(c2nc3cc4c(cc3[nH]2)OCCO4)C1(C)C.
What is the InChIKey of 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is RGTNAKXVOVKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2)13(16(15,3)4)14-17-9-7-11-12(8-10(9)18-14)20-6-5-19-11/h7-8,13H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 272.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 66477298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).