1-[(Z)-but-2-enyl]imidazole

C7H10N2 — CID 45087139

IUPAC1-[(Z)-but-2-enyl]imidazole
SMILESC/C=C\Cn1ccnc1
InChIInChI=1S/C7H10N2/c1-2-3-5-9-6-4-8-7-9/h2-4,6-7H,5H2,1H3/b3-2-
InChIKeyAKBNVSZFPAJJDT-IHWYPQMZSA-N
MW122.17 g/mol
LogP1.46
Rot. Bonds2

About 1-[(Z)-but-2-enyl]imidazole

1-[(Z)-but-2-enyl]imidazole (PubChem CID 45087139) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]imidazole
PubChem CID45087139
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-[(Z)-but-2-enyl]imidazole
SMILESC/C=C\Cn1ccnc1
InChIInChI=1S/C7H10N2/c1-2-3-5-9-6-4-8-7-9/h2-4,6-7H,5H2,1H3/b3-2-
InChIKeyAKBNVSZFPAJJDT-IHWYPQMZSA-N
XLogP1.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(Z)-but-2-enyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoroprop-2-enyl)imidazole
CID 175465451
1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
CID 56648448
phosphane;1-prop-2-enylimidazole
CID 174916196
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
CID 58624286
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-ethylimidazole;hydroiodide
CID 66751695
copper;1-ethylimidazole
CID 118057388
(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen
CID 144833032
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
CID 18467017
ethane;1-(methoxymethyl)imidazole
CID 91425375
1-[(E)-but-2-enyl]pyrazole
CID 12591946

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]imidazole?
The IUPAC name of 1-[(Z)-but-2-enyl]imidazole (CID 45087139) is 1-[(Z)-but-2-enyl]imidazole.
What is the SMILES notation for 1-[(Z)-but-2-enyl]imidazole?
The canonical SMILES for 1-[(Z)-but-2-enyl]imidazole is C/C=C\Cn1ccnc1.
What is the InChIKey of 1-[(Z)-but-2-enyl]imidazole?
The InChIKey is AKBNVSZFPAJJDT-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-5-9-6-4-8-7-9/h2-4,6-7H,5H2,1H3/b3-2-.
What are the key properties of 1-[(Z)-but-2-enyl]imidazole?
1-[(Z)-but-2-enyl]imidazole has a molecular weight of 122.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]imidazole is sourced from PubChem (CID 45087139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).