3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine

C16H12Cl2N4 — CID 165415056

IUPAC3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1ncc(Cl)nc1Cl
InChIInChI=1S/C16H12Cl2N4/c1-22-10-13(11-5-3-2-4-6-11)20-15(22)8-7-12-16(18)21-14(17)9-19-12/h2-10H,1H3/b8-7+
InChIKeyDKCCTZNHONHEDY-BQYQJAHWSA-N
MW331.21 g/mol
LogP4.35
Rot. Bonds3

About 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine

3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine (PubChem CID 165415056) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine.

Molecular Properties

Compound Name3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine
PubChem CID165415056
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1ncc(Cl)nc1Cl
InChIInChI=1S/C16H12Cl2N4/c1-22-10-13(11-5-3-2-4-6-11)20-15(22)8-7-12-16(18)21-14(17)9-19-12/h2-10H,1H3/b8-7+
InChIKeyDKCCTZNHONHEDY-BQYQJAHWSA-N
XLogP4.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine?
The IUPAC name of 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine (CID 165415056) is 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine.
What is the SMILES notation for 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine?
The canonical SMILES for 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine is Cn1cc(-c2ccccc2)nc1/C=C/c1ncc(Cl)nc1Cl.
What is the InChIKey of 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine?
The InChIKey is DKCCTZNHONHEDY-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c1-22-10-13(11-5-3-2-4-6-11)20-15(22)8-7-12-16(18)21-14(17)9-19-12/h2-10H,1H3/b8-7+.
What are the key properties of 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine?
3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine has a molecular weight of 331.21 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrazine is sourced from PubChem (CID 165415056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).