5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole

C9H12N2 — CID 143784350

IUPAC5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole
SMILESC=CC1=NCC(/C(C)=C/C)=N1
InChIInChI=1S/C9H12N2/c1-4-7(3)8-6-10-9(5-2)11-8/h4-5H,2,6H2,1,3H3/b7-4+
InChIKeyTZVATXHOWNPDFL-QPJJXVBHSA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds2

About 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole

5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole (PubChem CID 143784350) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole
PubChem CID143784350
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole
SMILESC=CC1=NCC(/C(C)=C/C)=N1
InChIInChI=1S/C9H12N2/c1-4-7(3)8-6-10-9(5-2)11-8/h4-5H,2,6H2,1,3H3/b7-4+
InChIKeyTZVATXHOWNPDFL-QPJJXVBHSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole (CID 143784350) is 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole is C=CC1=NCC(/C(C)=C/C)=N1.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole?
The InChIKey is TZVATXHOWNPDFL-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-7(3)8-6-10-9(5-2)11-8/h4-5H,2,6H2,1,3H3/b7-4+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole?
5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole has a molecular weight of 148.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole is sourced from PubChem (CID 143784350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).