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

C15H13N3O2 — CID 106753298

IUPAC2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccn1
InChIInChI=1S/C15H13N3O2/c1-9-6-10(2-3-16-9)15-17-11-7-13-14(8-12(11)18-15)20-5-4-19-13/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeyXNWKSQFBNADYNS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.70
Rot. Bonds1

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

2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 106753298) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID106753298
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccn1
InChIInChI=1S/C15H13N3O2/c1-9-6-10(2-3-16-9)15-17-11-7-13-14(8-12(11)18-15)20-5-4-19-13/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeyXNWKSQFBNADYNS-UHFFFAOYSA-N
XLogP2.70
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol
CID 136751368
2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349089
2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349098
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306
2-(3-bromo-5-methylphenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 115999480
2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 102922100
2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55180183
2-(4-fluorophenyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168735
2-(2-chlorofuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106688273
2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 11313172
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylaniline
CID 62948735
2-(1,3-dimethylpyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 103849870

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 106753298) is 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is XNWKSQFBNADYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-6-10(2-3-16-9)15-17-11-7-13-14(8-12(11)18-15)20-5-4-19-13/h2-3,6-8H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 267.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 106753298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).