4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

C22H16BrN3 — CID 51359441

IUPAC4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1cc(Br)cn2c(Cc3ccccc3)c(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C22H16BrN3/c1-15-11-19(23)14-26-20(12-16-5-3-2-4-6-16)21(25-22(15)26)18-9-7-17(13-24)8-10-18/h2-11,14H,12H2,1H3
InChIKeyHSGYAXXIQXJVIG-UHFFFAOYSA-N
MW402.30 g/mol
LogP5.53
Rot. Bonds3

About 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (PubChem CID 51359441) has the molecular formula C22H16BrN3 and a molecular weight of 402.30 g/mol. Its IUPAC name is 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
PubChem CID51359441
Molecular FormulaC22H16BrN3
Molecular Weight402.30 g/mol
Exact Mass401.05
IUPAC Name4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1cc(Br)cn2c(Cc3ccccc3)c(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C22H16BrN3/c1-15-11-19(23)14-26-20(12-16-5-3-2-4-6-16)21(25-22(15)26)18-9-7-17(13-24)8-10-18/h2-11,14H,12H2,1H3
InChIKeyHSGYAXXIQXJVIG-UHFFFAOYSA-N
XLogP5.53
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The IUPAC name of 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (CID 51359441) is 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The canonical SMILES for 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is Cc1cc(Br)cn2c(Cc3ccccc3)c(-c3ccc(C#N)cc3)nc12.
What is the InChIKey of 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The InChIKey is HSGYAXXIQXJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3/c1-15-11-19(23)14-26-20(12-16-5-3-2-4-6-16)21(25-22(15)26)18-9-7-17(13-24)8-10-18/h2-11,14H,12H2,1H3.
What are the key properties of 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile has a molecular weight of 402.30 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 51359441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).