2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole

C14H9BrClF3N2S — CID 71219307

IUPAC2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESFC(F)(F)C1=CN(c2ccccc2Cl)C(c2ccc(Br)s2)N1
InChIInChI=1S/C14H9BrClF3N2S/c15-12-6-5-10(22-12)13-20-11(14(17,18)19)7-21(13)9-4-2-1-3-8(9)16/h1-7,13,20H
InChIKeyCZVAOTIPCSFWOU-UHFFFAOYSA-N
MW409.66 g/mol
LogP5.68
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole

2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole (PubChem CID 71219307) has the molecular formula C14H9BrClF3N2S and a molecular weight of 409.66 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole
PubChem CID71219307
Molecular FormulaC14H9BrClF3N2S
Molecular Weight409.66 g/mol
Exact Mass407.93
IUPAC Name2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESFC(F)(F)C1=CN(c2ccccc2Cl)C(c2ccc(Br)s2)N1
InChIInChI=1S/C14H9BrClF3N2S/c15-12-6-5-10(22-12)13-20-11(14(17,18)19)7-21(13)9-4-2-1-3-8(9)16/h1-7,13,20H
InChIKeyCZVAOTIPCSFWOU-UHFFFAOYSA-N
XLogP5.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole (CID 71219307) is 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole is FC(F)(F)C1=CN(c2ccccc2Cl)C(c2ccc(Br)s2)N1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole?
The InChIKey is CZVAOTIPCSFWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3N2S/c15-12-6-5-10(22-12)13-20-11(14(17,18)19)7-21(13)9-4-2-1-3-8(9)16/h1-7,13,20H.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole?
2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole has a molecular weight of 409.66 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)-5-(trifluoromethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 71219307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).