2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile

C17H10N4 — CID 5111894

IUPAC2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H10N4/c18-11-13(12-19)10-15-17(14-6-2-1-3-7-14)20-16-8-4-5-9-21(15)16/h1-10H
InChIKeyYWVLGVJDXUBHDG-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.43
Rot. Bonds2

About 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile

2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile (PubChem CID 5111894) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile
PubChem CID5111894
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H10N4/c18-11-13(12-19)10-15-17(14-6-2-1-3-7-14)20-16-8-4-5-9-21(15)16/h1-10H
InChIKeyYWVLGVJDXUBHDG-UHFFFAOYSA-N
XLogP3.43
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid
CID 56797454
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
(5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione
CID 177495034
3-(dideuteriomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 66561866
trimethyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethynyl]silane
CID 155716190
(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195818
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 155306963
3-phenyl-2-[4-phenyl-6-[2-phenyl-6-[4-phenyl-6-(3-phenylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 164780995
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
3-phenyl-2-[4-phenyl-6-[4-phenyl-6-[4-phenyl-6-(3-phenylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 155307009

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile (CID 5111894) is 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile is N#CC(C#N)=Cc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile?
The InChIKey is YWVLGVJDXUBHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-11-13(12-19)10-15-17(14-6-2-1-3-7-14)20-16-8-4-5-9-21(15)16/h1-10H.
What are the key properties of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile?
2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile has a molecular weight of 270.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile is sourced from PubChem (CID 5111894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).