2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole

C15H17FN2 — CID 58179101

IUPAC2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1cc(-c2ccc(F)cc2)nc1CC
InChIInChI=1S/C15H17FN2/c1-4-15-17-14(10-18(15)9-11(2)3)12-5-7-13(16)8-6-12/h5-8,10H,2,4,9H2,1,3H3
InChIKeyVRXKMZJEGFQOAJ-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.83
Rot. Bonds4

About 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole

2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole (PubChem CID 58179101) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole.

Molecular Properties

Compound Name2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole
PubChem CID58179101
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1cc(-c2ccc(F)cc2)nc1CC
InChIInChI=1S/C15H17FN2/c1-4-15-17-14(10-18(15)9-11(2)3)12-5-7-13(16)8-6-12/h5-8,10H,2,4,9H2,1,3H3
InChIKeyVRXKMZJEGFQOAJ-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole?
The IUPAC name of 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole (CID 58179101) is 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole.
What is the SMILES notation for 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole?
The canonical SMILES for 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole is C=C(C)Cn1cc(-c2ccc(F)cc2)nc1CC.
What is the InChIKey of 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole?
The InChIKey is VRXKMZJEGFQOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-4-15-17-14(10-18(15)9-11(2)3)12-5-7-13(16)8-6-12/h5-8,10H,2,4,9H2,1,3H3.
What are the key properties of 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole?
2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole has a molecular weight of 244.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluorophenyl)-1-(2-methylprop-2-enyl)imidazole is sourced from PubChem (CID 58179101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).