2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile

C11H12N4 — CID 112710780

IUPAC2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile
SMILESCC(C)n1c(CC#N)nc2ncccc21
InChIInChI=1S/C11H12N4/c1-8(2)15-9-4-3-7-13-11(9)14-10(15)5-6-12/h3-4,7-8H,5H2,1-2H3
InChIKeyBUUBAPZZWQYWSV-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.08
Rot. Bonds2

About 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile

2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile (PubChem CID 112710780) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile
PubChem CID112710780
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile
SMILESCC(C)n1c(CC#N)nc2ncccc21
InChIInChI=1S/C11H12N4/c1-8(2)15-9-4-3-7-13-11(9)14-10(15)5-6-12/h3-4,7-8H,5H2,1-2H3
InChIKeyBUUBAPZZWQYWSV-UHFFFAOYSA-N
XLogP2.08
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 82333725
2-(1-but-3-en-2-ylbenzimidazol-2-yl)acetonitrile
CID 63637927
2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 63638092
2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
CID 83062998
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
2-(chloromethyl)-1-propan-2-ylbenzimidazole-4-carbonitrile
CID 104719165
2-(1-heptan-3-ylbenzimidazol-2-yl)acetonitrile
CID 123409939
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
2-(3-methylsulfanyl-2-pyridinyl)acetonitrile
CID 14273134
ethane;11-propan-2-yl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 169265960
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile?
The IUPAC name of 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile (CID 112710780) is 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile is CC(C)n1c(CC#N)nc2ncccc21.
What is the InChIKey of 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile?
The InChIKey is BUUBAPZZWQYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8(2)15-9-4-3-7-13-11(9)14-10(15)5-6-12/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile?
2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 112710780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).