2-[(Z)-but-2-en-2-yl]-1H-imidazole

C7H10N2 — CID 169206426

IUPAC2-[(Z)-but-2-en-2-yl]-1H-imidazole
SMILESC/C=C(/C)c1ncc[nH]1
InChIInChI=1S/C7H10N2/c1-3-6(2)7-8-4-5-9-7/h3-5H,1-2H3,(H,8,9)/b6-3-
InChIKeyIBIYKZPYYFTVDX-UTCJRWHESA-N
MW122.17 g/mol
LogP1.83
Rot. Bonds1

About 2-[(Z)-but-2-en-2-yl]-1H-imidazole

2-[(Z)-but-2-en-2-yl]-1H-imidazole (PubChem CID 169206426) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-1H-imidazole
PubChem CID169206426
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-[(Z)-but-2-en-2-yl]-1H-imidazole
SMILESC/C=C(/C)c1ncc[nH]1
InChIInChI=1S/C7H10N2/c1-3-6(2)7-8-4-5-9-7/h3-5H,1-2H3,(H,8,9)/b6-3-
InChIKeyIBIYKZPYYFTVDX-UTCJRWHESA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Propylimidazole
CID 162617
2-butyl-1H-imidazole
CID 11815351
2-(2-Methylpropyl)-1H-imidazole
CID 109093
2-tert-butyl-1H-imidazole
CID 498442
2-aminomethyl-1H-imidazole
CID 1382041
((1H-imidazol-2-yl)methyl)dimethylamine
CID 11457689
2-(1H-imidazol-2-yl)acetonitrile
CID 14207546
2-cyclopropyl-1H-imidazole
CID 17942383
((1H-imidazol-2-yl)methyl)(methyl)amine
CID 21973641

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-1H-imidazole?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-1H-imidazole (CID 169206426) is 2-[(Z)-but-2-en-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-1H-imidazole?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-1H-imidazole is C/C=C(/C)c1ncc[nH]1.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-1H-imidazole?
The InChIKey is IBIYKZPYYFTVDX-UTCJRWHESA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6(2)7-8-4-5-9-7/h3-5H,1-2H3,(H,8,9)/b6-3-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-1H-imidazole?
2-[(Z)-but-2-en-2-yl]-1H-imidazole has a molecular weight of 122.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-1H-imidazole is sourced from PubChem (CID 169206426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).