2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride

C15H18ClFN2 — CID 70587272

IUPAC2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride
SMILESCC(C)(C)C(=Cc1ncc[nH]1)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H17FN2.ClH/c1-15(2,3)13(10-14-17-8-9-18-14)11-4-6-12(16)7-5-11;/h4-10H,1-3H3,(H,17,18);1H
InChIKeyCWXVVPSNHSQMEH-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.56
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride

2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride (PubChem CID 70587272) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride
PubChem CID70587272
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride
SMILESCC(C)(C)C(=Cc1ncc[nH]1)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H17FN2.ClH/c1-15(2,3)13(10-14-17-8-9-18-14)11-4-6-12(16)7-5-11;/h4-10H,1-3H3,(H,17,18);1H
InChIKeyCWXVVPSNHSQMEH-UHFFFAOYSA-N
XLogP4.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride?
The IUPAC name of 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride (CID 70587272) is 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride is CC(C)(C)C(=Cc1ncc[nH]1)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride?
The InChIKey is CWXVVPSNHSQMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2.ClH/c1-15(2,3)13(10-14-17-8-9-18-14)11-4-6-12(16)7-5-11;/h4-10H,1-3H3,(H,17,18);1H.
What are the key properties of 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride?
2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride has a molecular weight of 280.77 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3,3-dimethylbut-1-enyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 70587272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).