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

C21H14BrN3 — CID 46904883

IUPAC4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1
InChIInChI=1S/C21H14BrN3/c22-18-10-11-20-24-21(17-8-6-16(13-23)7-9-17)19(25(20)14-18)12-15-4-2-1-3-5-15/h1-11,14H,12H2
InChIKeyGNLCEIDJQAKRQZ-UHFFFAOYSA-N
MW388.27 g/mol
LogP5.23
Rot. Bonds3

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

4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile (PubChem CID 46904883) has the molecular formula C21H14BrN3 and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile
PubChem CID46904883
Molecular FormulaC21H14BrN3
Molecular Weight388.27 g/mol
Exact Mass387.04
IUPAC Name4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1
InChIInChI=1S/C21H14BrN3/c22-18-10-11-20-24-21(17-8-6-16(13-23)7-9-17)19(25(20)14-18)12-15-4-2-1-3-5-15/h1-11,14H,12H2
InChIKeyGNLCEIDJQAKRQZ-UHFFFAOYSA-N
XLogP5.23
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 55.23
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-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The IUPAC name of 4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile (CID 46904883) is 4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The canonical SMILES for 4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile is N#Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The InChIKey is GNLCEIDJQAKRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3/c22-18-10-11-20-24-21(17-8-6-16(13-23)7-9-17)19(25(20)14-18)12-15-4-2-1-3-5-15/h1-11,14H,12H2.
What are the key properties of 4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile?
4-(3-benzyl-6-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile has a molecular weight of 388.27 g/mol, XLogP of 5.23, 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-bromoimidazo[1,2-a]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 46904883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).