5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine

C20H19N5 — CID 66636089

IUPAC5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine
SMILESCc1ncc(C)n2cc(/C=C/c3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H19N5/c1-14-11-21-15(2)20-22-17(12-25(14)20)9-10-19-23-18(13-24(19)3)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9+
InChIKeyNTJVFLOKYBVKIF-MDZDMXLPSA-N
MW329.41 g/mol
LogP3.92
Rot. Bonds3

About 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine

5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine (PubChem CID 66636089) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine
PubChem CID66636089
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine
SMILESCc1ncc(C)n2cc(/C=C/c3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H19N5/c1-14-11-21-15(2)20-22-17(12-25(14)20)9-10-19-23-18(13-24(19)3)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9+
InChIKeyNTJVFLOKYBVKIF-MDZDMXLPSA-N
XLogP3.92
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine (CID 66636089) is 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine is Cc1ncc(C)n2cc(/C=C/c3nc(-c4ccccc4)cn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine?
The InChIKey is NTJVFLOKYBVKIF-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-11-21-15(2)20-22-17(12-25(14)20)9-10-19-23-18(13-24(19)3)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine?
5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine has a molecular weight of 329.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 66636089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).