4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole

C21H14ClF3N2S — CID 146049709

IUPAC4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole
SMILESCc1[nH]c(-c2ccc(-c3ccc(C(F)(F)F)cc3)s2)nc1-c1ccccc1Cl
InChIInChI=1S/C21H14ClF3N2S/c1-12-19(15-4-2-3-5-16(15)22)27-20(26-12)18-11-10-17(28-18)13-6-8-14(9-7-13)21(23,24)25/h2-11H,1H3,(H,26,27)
InChIKeyIUIXGULIWYVTPE-UHFFFAOYSA-N
MW418.87 g/mol
LogP7.45
Rot. Bonds3

About 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole

4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole (PubChem CID 146049709) has the molecular formula C21H14ClF3N2S and a molecular weight of 418.87 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole
PubChem CID146049709
Molecular FormulaC21H14ClF3N2S
Molecular Weight418.87 g/mol
Exact Mass418.05
IUPAC Name4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole
SMILESCc1[nH]c(-c2ccc(-c3ccc(C(F)(F)F)cc3)s2)nc1-c1ccccc1Cl
InChIInChI=1S/C21H14ClF3N2S/c1-12-19(15-4-2-3-5-16(15)22)27-20(26-12)18-11-10-17(28-18)13-6-8-14(9-7-13)21(23,24)25/h2-11H,1H3,(H,26,27)
InChIKeyIUIXGULIWYVTPE-UHFFFAOYSA-N
XLogP7.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.87
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 153289392
4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole
CID 73332044
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 102358532
8-chloro-4-methyl-3-[4-(trifluoromethyl)phenyl]cinnoline
CID 171826678
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
(E)-6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-N-[(E)-propylideneamino]pyridazin-3-imine;1-methyl-4-(trifluoromethyl)benzene
CID 143379996
4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
CID 105498309
4-(4-bromophenyl)-5-methyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole;4-(2-chlorophenyl)-5-methyl-2-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]-1H-imidazole;4-(4-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]-1H-imidazole;2-[5-[4-chloro-3-(trifluoromethoxy)phenyl]furan-2-yl]-4-(4-fluorophenyl)-5-methyl-1H-imidazole;5-methyl-2-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]-4-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 159748310
5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline
CID 101376433
4-(2,3-dichlorophenyl)-5-methyl-2-(1H-pyrrol-2-yl)-1H-imidazole
CID 150495232

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole?
The IUPAC name of 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole (CID 146049709) is 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole?
The canonical SMILES for 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole is Cc1[nH]c(-c2ccc(-c3ccc(C(F)(F)F)cc3)s2)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole?
The InChIKey is IUIXGULIWYVTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2S/c1-12-19(15-4-2-3-5-16(15)22)27-20(26-12)18-11-10-17(28-18)13-6-8-14(9-7-13)21(23,24)25/h2-11H,1H3,(H,26,27).
What are the key properties of 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole?
4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole has a molecular weight of 418.87 g/mol, XLogP of 7.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole is sourced from PubChem (CID 146049709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).