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

C16H14ClN3 — CID 19032464

IUPAC4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride
SMILESCc1nc2ccccn2c1Cc1ccc(C#N)cc1.Cl
InChIInChI=1S/C16H13N3.ClH/c1-12-15(19-9-3-2-4-16(19)18-12)10-13-5-7-14(11-17)8-6-13;/h2-9H,10H2,1H3;1H
InChIKeyHSCFJYIINJMNQE-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.53
Rot. Bonds2

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

4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride (PubChem CID 19032464) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride
PubChem CID19032464
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride
SMILESCc1nc2ccccn2c1Cc1ccc(C#N)cc1.Cl
InChIInChI=1S/C16H13N3.ClH/c1-12-15(19-9-3-2-4-16(19)18-12)10-13-5-7-14(11-17)8-6-13;/h2-9H,10H2,1H3;1H
InChIKeyHSCFJYIINJMNQE-UHFFFAOYSA-N
XLogP3.53
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride (CID 19032464) is 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride is Cc1nc2ccccn2c1Cc1ccc(C#N)cc1.Cl.
What is the InChIKey of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride?
The InChIKey is HSCFJYIINJMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3.ClH/c1-12-15(19-9-3-2-4-16(19)18-12)10-13-5-7-14(11-17)8-6-13;/h2-9H,10H2,1H3;1H.
What are the key properties of 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride?
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 19032464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).