3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole

C24H16BrN3 — CID 45034340

IUPAC3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole
SMILESBrc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C24H16BrN3/c25-19-13-11-18(12-14-19)22-16-28-23-9-5-4-8-20(23)27-24(28)21(26-22)15-10-17-6-2-1-3-7-17/h1-16H/b15-10+
InChIKeyMUFDTUUMZGPGSU-XNTDXEJSSA-N
MW426.32 g/mol
LogP6.48
Rot. Bonds3

About 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole

3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole (PubChem CID 45034340) has the molecular formula C24H16BrN3 and a molecular weight of 426.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole
PubChem CID45034340
Molecular FormulaC24H16BrN3
Molecular Weight426.32 g/mol
Exact Mass425.05
IUPAC Name3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole
SMILESBrc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C24H16BrN3/c25-19-13-11-18(12-14-19)22-16-28-23-9-5-4-8-20(23)27-24(28)21(26-22)15-10-17-6-2-1-3-7-17/h1-16H/b15-10+
InChIKeyMUFDTUUMZGPGSU-XNTDXEJSSA-N
XLogP6.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole?
The IUPAC name of 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole (CID 45034340) is 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole is Brc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole?
The InChIKey is MUFDTUUMZGPGSU-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H16BrN3/c25-19-13-11-18(12-14-19)22-16-28-23-9-5-4-8-20(23)27-24(28)21(26-22)15-10-17-6-2-1-3-7-17/h1-16H/b15-10+.
What are the key properties of 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole?
3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole has a molecular weight of 426.32 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 45034340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).