2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine

C20H17BrN4 — CID 53032483

IUPAC2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(Br)cc3)nc3cnccn23)c(C)c1
InChIInChI=1S/C20H17BrN4/c1-13-3-8-17(14(2)11-13)23-20-19(15-4-6-16(21)7-5-15)24-18-12-22-9-10-25(18)20/h3-12,23H,1-2H3
InChIKeyXJWUNWZVGTVTQM-UHFFFAOYSA-N
MW393.29 g/mol
LogP5.52
Rot. Bonds3

About 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine

2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 53032483) has the molecular formula C20H17BrN4 and a molecular weight of 393.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID53032483
Molecular FormulaC20H17BrN4
Molecular Weight393.29 g/mol
Exact Mass392.06
IUPAC Name2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(Br)cc3)nc3cnccn23)c(C)c1
InChIInChI=1S/C20H17BrN4/c1-13-3-8-17(14(2)11-13)23-20-19(15-4-6-16(21)7-5-15)24-18-12-22-9-10-25(18)20/h3-12,23H,1-2H3
InChIKeyXJWUNWZVGTVTQM-UHFFFAOYSA-N
XLogP5.52
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.29
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine (CID 53032483) is 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine is Cc1ccc(Nc2c(-c3ccc(Br)cc3)nc3cnccn23)c(C)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is XJWUNWZVGTVTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4/c1-13-3-8-17(14(2)11-13)23-20-19(15-4-6-16(21)7-5-15)24-18-12-22-9-10-25(18)20/h3-12,23H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine?
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 393.29 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2,4-dimethylphenyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 53032483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).