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

C14H16N2O2 — CID 83154943

IUPAC2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(c1nc2cc3c(cc2[nH]1)OCCO3)C1CC1
InChIInChI=1S/C14H16N2O2/c1-8(9-2-3-9)14-15-10-6-12-13(7-11(10)16-14)18-5-4-17-12/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyXDZXANJANVGBPN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.85
Rot. Bonds2

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

2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 83154943) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID83154943
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(c1nc2cc3c(cc2[nH]1)OCCO3)C1CC1
InChIInChI=1S/C14H16N2O2/c1-8(9-2-3-9)14-15-10-6-12-13(7-11(10)16-14)18-5-4-17-12/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyXDZXANJANVGBPN-UHFFFAOYSA-N
XLogP2.85
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 83154943) is 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is CC(c1nc2cc3c(cc2[nH]1)OCCO3)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is XDZXANJANVGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(9-2-3-9)14-15-10-6-12-13(7-11(10)16-14)18-5-4-17-12/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 244.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 83154943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).