4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

C15H11N3 — CID 852496

IUPAC4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1c(-c2ccc(C#N)cc2)nc2ccccn12
InChIInChI=1S/C15H11N3/c1-11-15(13-7-5-12(10-16)6-8-13)17-14-4-2-3-9-18(11)14/h2-9H,1H3
InChIKeyOSLDAOQINAYMGR-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.18
Rot. Bonds1

About 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (PubChem CID 852496) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
PubChem CID852496
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1c(-c2ccc(C#N)cc2)nc2ccccn12
InChIInChI=1S/C15H11N3/c1-11-15(13-7-5-12(10-16)6-8-13)17-14-4-2-3-9-18(11)14/h2-9H,1H3
InChIKeyOSLDAOQINAYMGR-UHFFFAOYSA-N
XLogP3.18
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The IUPAC name of 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (CID 852496) is 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The canonical SMILES for 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is Cc1c(-c2ccc(C#N)cc2)nc2ccccn12.
What is the InChIKey of 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The InChIKey is OSLDAOQINAYMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-11-15(13-7-5-12(10-16)6-8-13)17-14-4-2-3-9-18(11)14/h2-9H,1H3.
What are the key properties of 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 852496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).