1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole

C17H22BrF3N2 — CID 67592079

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole
SMILESCCCCC1=C(CC)N(c2ccc(Br)cc2C(F)(F)F)CN1C
InChIInChI=1S/C17H22BrF3N2/c1-4-6-7-16-14(5-2)23(11-22(16)3)15-9-8-12(18)10-13(15)17(19,20)21/h8-10H,4-7,11H2,1-3H3
InChIKeyGWPDZVSEEFVGRB-UHFFFAOYSA-N
MW391.28 g/mol
LogP5.99
Rot. Bonds5

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole

1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole (PubChem CID 67592079) has the molecular formula C17H22BrF3N2 and a molecular weight of 391.28 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole
PubChem CID67592079
Molecular FormulaC17H22BrF3N2
Molecular Weight391.28 g/mol
Exact Mass390.09
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole
SMILESCCCCC1=C(CC)N(c2ccc(Br)cc2C(F)(F)F)CN1C
InChIInChI=1S/C17H22BrF3N2/c1-4-6-7-16-14(5-2)23(11-22(16)3)15-9-8-12(18)10-13(15)17(19,20)21/h8-10H,4-7,11H2,1-3H3
InChIKeyGWPDZVSEEFVGRB-UHFFFAOYSA-N
XLogP5.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.28
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole (CID 67592079) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole is CCCCC1=C(CC)N(c2ccc(Br)cc2C(F)(F)F)CN1C.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole?
The InChIKey is GWPDZVSEEFVGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrF3N2/c1-4-6-7-16-14(5-2)23(11-22(16)3)15-9-8-12(18)10-13(15)17(19,20)21/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole?
1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole has a molecular weight of 391.28 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-4-butyl-5-ethyl-3-methyl-2H-imidazole is sourced from PubChem (CID 67592079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).