2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine

C16H16N4O2 — CID 82145913

IUPAC2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
SMILESNCCn1c(-c2cccnc2)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C16H16N4O2/c17-3-5-20-13-9-15-14(21-6-7-22-15)8-12(13)19-16(20)11-2-1-4-18-10-11/h1-2,4,8-10H,3,5-7,17H2
InChIKeyXJTMGJYABFYTIF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.83
Rot. Bonds3

About 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine

2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine (PubChem CID 82145913) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
PubChem CID82145913
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
SMILESNCCn1c(-c2cccnc2)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C16H16N4O2/c17-3-5-20-13-9-15-14(21-6-7-22-15)8-12(13)19-16(20)11-2-1-4-18-10-11/h1-2,4,8-10H,3,5-7,17H2
InChIKeyXJTMGJYABFYTIF-UHFFFAOYSA-N
XLogP1.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145915
2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 94749231
2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 28752905
2-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanamine
CID 94749003
2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94748156
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748670
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 102443349
2-(2-phenyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetic acid
CID 94748982
2-[2-(1,3-benzodioxol-5-yl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 94750264
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145885
2-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145826
2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
CID 82149438

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
The IUPAC name of 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine (CID 82145913) is 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine is NCCn1c(-c2cccnc2)nc2cc3c(cc21)OCCO3.
What is the InChIKey of 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
The InChIKey is XJTMGJYABFYTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-3-5-20-13-9-15-14(21-6-7-22-15)8-12(13)19-16(20)11-2-1-4-18-10-11/h1-2,4,8-10H,3,5-7,17H2.
What are the key properties of 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine?
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine has a molecular weight of 296.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine is sourced from PubChem (CID 82145913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).