4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

C22H16BrN3 — CID 46904888

IUPAC4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C22H16BrN3/c1-15-2-4-16(5-3-15)12-20-22(18-8-6-17(13-24)7-9-18)25-21-11-10-19(23)14-26(20)21/h2-11,14H,12H2,1H3
InChIKeySBDUSDGSPQAZCB-UHFFFAOYSA-N
MW402.30 g/mol
LogP5.53
Rot. Bonds3

About 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 46904888) has the molecular formula C22H16BrN3 and a molecular weight of 402.30 g/mol. Its IUPAC name is 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID46904888
Molecular FormulaC22H16BrN3
Molecular Weight402.30 g/mol
Exact Mass401.05
IUPAC Name4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C22H16BrN3/c1-15-2-4-16(5-3-15)12-20-22(18-8-6-17(13-24)7-9-18)25-21-11-10-19(23)14-26(20)21/h2-11,14H,12H2,1H3
InChIKeySBDUSDGSPQAZCB-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-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 46904888) is 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is Cc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3ccc(Br)cn23)cc1.
What is the InChIKey of 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is SBDUSDGSPQAZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3/c1-15-2-4-16(5-3-15)12-20-22(18-8-6-17(13-24)7-9-18)25-21-11-10-19(23)14-26(20)21/h2-11,14H,12H2,1H3.
What are the key properties of 4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[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-[6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 46904888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).