ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole

C17H21FN2 — CID 143545388

IUPACethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole
SMILESC=Cc1nc(-c2ccc(C)cc2F)cn1/C=C\C.CC
InChIInChI=1S/C15H15FN2.C2H6/c1-4-8-18-10-14(17-15(18)5-2)12-7-6-11(3)9-13(12)16;1-2/h4-10H,2H2,1,3H3;1-2H3/b8-4-;
InChIKeyUIKUHFXKPWDQCA-ZYFYRQFPSA-N
MW272.37 g/mol
LogP5.16
Rot. Bonds3

About ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole

ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole (PubChem CID 143545388) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole.

Molecular Properties

Compound Nameethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole
PubChem CID143545388
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Nameethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole
SMILESC=Cc1nc(-c2ccc(C)cc2F)cn1/C=C\C.CC
InChIInChI=1S/C15H15FN2.C2H6/c1-4-8-18-10-14(17-15(18)5-2)12-7-6-11(3)9-13(12)16;1-2/h4-10H,2H2,1,3H3;1-2H3/b8-4-;
InChIKeyUIKUHFXKPWDQCA-ZYFYRQFPSA-N
XLogP5.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole?
The IUPAC name of ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole (CID 143545388) is ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole.
What is the SMILES notation for ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole?
The canonical SMILES for ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole is C=Cc1nc(-c2ccc(C)cc2F)cn1/C=C\C.CC.
What is the InChIKey of ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole?
The InChIKey is UIKUHFXKPWDQCA-ZYFYRQFPSA-N. The full InChI is InChI=1S/C15H15FN2.C2H6/c1-4-8-18-10-14(17-15(18)5-2)12-7-6-11(3)9-13(12)16;1-2/h4-10H,2H2,1,3H3;1-2H3/b8-4-;.
What are the key properties of ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole?
ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole has a molecular weight of 272.37 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-(2-fluoro-4-methylphenyl)-1-[(Z)-prop-1-enyl]imidazole is sourced from PubChem (CID 143545388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).