2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

C15H13N3O2 — CID 116854104

IUPAC2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc3c(c2)OCO3)nc2n1CCCC2
InChIInChI=1S/C15H13N3O2/c16-8-11-15(17-14-3-1-2-6-18(11)14)10-4-5-12-13(7-10)20-9-19-12/h4-5,7H,1-3,6,9H2
InChIKeyKBFDGLKIUXPWGA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 116854104) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID116854104
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc3c(c2)OCO3)nc2n1CCCC2
InChIInChI=1S/C15H13N3O2/c16-8-11-15(17-14-3-1-2-6-18(11)14)10-4-5-12-13(7-10)20-9-19-12/h4-5,7H,1-3,6,9H2
InChIKeyKBFDGLKIUXPWGA-UHFFFAOYSA-N
XLogP2.49
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854107
3-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75527724
2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854106
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961415
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 83969556
5-(1,3-benzodioxol-5-yl)-2H-triazole-4-carbonitrile
CID 6411540
2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile
CID 18507421
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219083
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-carbonitrile
CID 154190788
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
N'-[4-(1,3-benzodioxol-5-yl)-5-cyano-1-methyl-6-oxopyrimidin-2-yl]acetohydrazide
CID 13381290
3-bromo-2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124802

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 116854104) is 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(-c2ccc3c(c2)OCO3)nc2n1CCCC2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is KBFDGLKIUXPWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-8-11-15(17-14-3-1-2-6-18(11)14)10-4-5-12-13(7-10)20-9-19-12/h4-5,7H,1-3,6,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 116854104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).