2,4,5-tris(prop-2-enyl)-1H-imidazole

C12H16N2 — CID 23504290

IUPAC2,4,5-tris(prop-2-enyl)-1H-imidazole
SMILESC=CCc1nc(CC=C)c(CC=C)[nH]1
InChIInChI=1S/C12H16N2/c1-4-7-10-11(8-5-2)14-12(13-10)9-6-3/h4-6H,1-3,7-9H2,(H,13,14)
InChIKeyMRJQYVQMEAZRDV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.60
Rot. Bonds6

About 2,4,5-tris(prop-2-enyl)-1H-imidazole

2,4,5-tris(prop-2-enyl)-1H-imidazole (PubChem CID 23504290) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,4,5-tris(prop-2-enyl)-1H-imidazole.

Molecular Properties

Compound Name2,4,5-tris(prop-2-enyl)-1H-imidazole
PubChem CID23504290
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,4,5-tris(prop-2-enyl)-1H-imidazole
SMILESC=CCc1nc(CC=C)c(CC=C)[nH]1
InChIInChI=1S/C12H16N2/c1-4-7-10-11(8-5-2)14-12(13-10)9-6-3/h4-6H,1-3,7-9H2,(H,13,14)
InChIKeyMRJQYVQMEAZRDV-UHFFFAOYSA-N
XLogP2.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole
CID 70142534
2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol
CID 174372836
5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one
CID 70353542
2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline
CID 174406790
5-ethenyl-2-prop-2-enyl-1H-imidazole
CID 67379634
5-prop-2-enyl-1H-imidazole-2,4-dicarboxylic acid
CID 174390840
2,4-diamino-6-prop-2-enylpyrimidin-5-ol
CID 70538477
3-prop-2-enylquinoxalin-2-amine
CID 174948305
(4-prop-2-enyl-1H-imidazol-5-yl)methanol
CID 70540099
2-prop-2-enyl-1H-imidazole;silane
CID 174842331
4,5-bis(prop-2-enyl)-3H-1,3-thiazole-2-thione
CID 66692830
5,7-dibromo-2-prop-2-enyl-4H-thieno[3,4-b]pyrazin-3-one
CID 70187836

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(prop-2-enyl)-1H-imidazole?
The IUPAC name of 2,4,5-tris(prop-2-enyl)-1H-imidazole (CID 23504290) is 2,4,5-tris(prop-2-enyl)-1H-imidazole.
What is the SMILES notation for 2,4,5-tris(prop-2-enyl)-1H-imidazole?
The canonical SMILES for 2,4,5-tris(prop-2-enyl)-1H-imidazole is C=CCc1nc(CC=C)c(CC=C)[nH]1.
What is the InChIKey of 2,4,5-tris(prop-2-enyl)-1H-imidazole?
The InChIKey is MRJQYVQMEAZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-7-10-11(8-5-2)14-12(13-10)9-6-3/h4-6H,1-3,7-9H2,(H,13,14).
What are the key properties of 2,4,5-tris(prop-2-enyl)-1H-imidazole?
2,4,5-tris(prop-2-enyl)-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(prop-2-enyl)-1H-imidazole is sourced from PubChem (CID 23504290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).