2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile

C19H13N3S — CID 118733889

IUPAC2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cnc3cc(-c4cccs4)ccn23)cc1
InChIInChI=1S/C19H13N3S/c20-9-7-14-3-5-15(6-4-14)17-13-21-19-12-16(8-10-22(17)19)18-2-1-11-23-18/h1-6,8,10-13H,7H2
InChIKeyOVDLXPRUBABLSI-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.80
Rot. Bonds3

About 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile

2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile (PubChem CID 118733889) has the molecular formula C19H13N3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile
PubChem CID118733889
Molecular FormulaC19H13N3S
Molecular Weight315.40 g/mol
Exact Mass315.08
IUPAC Name2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cnc3cc(-c4cccs4)ccn23)cc1
InChIInChI=1S/C19H13N3S/c20-9-7-14-3-5-15(6-4-14)17-13-21-19-12-16(8-10-22(17)19)18-2-1-11-23-18/h1-6,8,10-13H,7H2
InChIKeyOVDLXPRUBABLSI-UHFFFAOYSA-N
XLogP4.80
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile (CID 118733889) is 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile is N#CCc1ccc(-c2cnc3cc(-c4cccs4)ccn23)cc1.
What is the InChIKey of 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile?
The InChIKey is OVDLXPRUBABLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3S/c20-9-7-14-3-5-15(6-4-14)17-13-21-19-12-16(8-10-22(17)19)18-2-1-11-23-18/h1-6,8,10-13H,7H2.
What are the key properties of 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile?
2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile has a molecular weight of 315.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetonitrile is sourced from PubChem (CID 118733889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).