2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole

C15H18N2 — CID 164877049

IUPAC2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
SMILESCCc1nccn1C/C=C/c1ccc(C)cc1
InChIInChI=1S/C15H18N2/c1-3-15-16-10-12-17(15)11-4-5-14-8-6-13(2)7-9-14/h4-10,12H,3,11H2,1-2H3/b5-4+
InChIKeyWUHZVCJVTKXICP-SNAWJCMRSA-N
MW226.32 g/mol
LogP3.47
Rot. Bonds4

About 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole

2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole (PubChem CID 164877049) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
PubChem CID164877049
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
SMILESCCc1nccn1C/C=C/c1ccc(C)cc1
InChIInChI=1S/C15H18N2/c1-3-15-16-10-12-17(15)11-4-5-14-8-6-13(2)7-9-14/h4-10,12H,3,11H2,1-2H3/b5-4+
InChIKeyWUHZVCJVTKXICP-SNAWJCMRSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
The IUPAC name of 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole (CID 164877049) is 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
The canonical SMILES for 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole is CCc1nccn1C/C=C/c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
The InChIKey is WUHZVCJVTKXICP-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-15-16-10-12-17(15)11-4-5-14-8-6-13(2)7-9-14/h4-10,12H,3,11H2,1-2H3/b5-4+.
What are the key properties of 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole?
2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole has a molecular weight of 226.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole is sourced from PubChem (CID 164877049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).