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

C12H10N4O2 — CID 55180183

IUPAC2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1n[nH]cc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C12H10N4O2/c1-2-18-11-4-9-8(3-10(11)17-1)15-12(16-9)7-5-13-14-6-7/h3-6H,1-2H2,(H,13,14)(H,15,16)
InChIKeyFTAQRUOSWHMXAS-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.72
Rot. Bonds1

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

2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 55180183) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID55180183
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1n[nH]cc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C12H10N4O2/c1-2-18-11-4-9-8(3-10(11)17-1)15-12(16-9)7-5-13-14-6-7/h3-6H,1-2H2,(H,13,14)(H,15,16)
InChIKeyFTAQRUOSWHMXAS-UHFFFAOYSA-N
XLogP1.72
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 55180183) is 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is c1n[nH]cc1-c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is FTAQRUOSWHMXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-2-18-11-4-9-8(3-10(11)17-1)15-12(16-9)7-5-13-14-6-7/h3-6H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 242.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 55180183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).