1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole

C24H15Cl2N3 — CID 5471210

IUPAC1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole
SMILESClc1ccc(/C=C/c2nc(-c3ccccc3)cn3c2nc2ccccc23)cc1Cl
InChIInChI=1S/C24H15Cl2N3/c25-18-12-10-16(14-19(18)26)11-13-21-24-28-20-8-4-5-9-23(20)29(24)15-22(27-21)17-6-2-1-3-7-17/h1-15H/b13-11+
InChIKeyWPFRNRABZXQVMG-ACCUITESSA-N
MW416.31 g/mol
LogP7.03
Rot. Bonds3

About 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole

1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole (PubChem CID 5471210) has the molecular formula C24H15Cl2N3 and a molecular weight of 416.31 g/mol. Its IUPAC name is 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole
PubChem CID5471210
Molecular FormulaC24H15Cl2N3
Molecular Weight416.31 g/mol
Exact Mass415.06
IUPAC Name1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole
SMILESClc1ccc(/C=C/c2nc(-c3ccccc3)cn3c2nc2ccccc23)cc1Cl
InChIInChI=1S/C24H15Cl2N3/c25-18-12-10-16(14-19(18)26)11-13-21-24-28-20-8-4-5-9-23(20)29(24)15-22(27-21)17-6-2-1-3-7-17/h1-15H/b13-11+
InChIKeyWPFRNRABZXQVMG-ACCUITESSA-N
XLogP7.03
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.31
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-1-[(E)-2-phenylethenyl]pyrazino[1,2-a]benzimidazole
CID 45034340
3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine
CID 148938245
3-(3-methoxyphenyl)pyrazino[1,2-a]benzimidazol-1-amine
CID 164609276
1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole
CID 51032413
2-phenylimidazo[1,2-f]phenanthridin-11-ol
CID 163435365
2-(4-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253879
4-methoxy-2-(4-methoxyphenyl)imidazo[1,2-a]quinoxaline
CID 67547841
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6028558
8-(3,4-dichlorophenyl)-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 177392581
(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 34329231
2-(4-fluorophenyl)-N-methylimidazo[1,2-a]quinoxalin-4-amine
CID 67548041
11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline
CID 11015658

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole?
The IUPAC name of 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole (CID 5471210) is 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole?
The canonical SMILES for 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole is Clc1ccc(/C=C/c2nc(-c3ccccc3)cn3c2nc2ccccc23)cc1Cl.
What is the InChIKey of 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole?
The InChIKey is WPFRNRABZXQVMG-ACCUITESSA-N. The full InChI is InChI=1S/C24H15Cl2N3/c25-18-12-10-16(14-19(18)26)11-13-21-24-28-20-8-4-5-9-23(20)29(24)15-22(27-21)17-6-2-1-3-7-17/h1-15H/b13-11+.
What are the key properties of 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole?
1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole has a molecular weight of 416.31 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 5471210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).