1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole

C25H23F3N2S — CID 46310833

IUPAC1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole
SMILESCC(C)Cn1c(C(Sc2ccccc2)c2ccccc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H23F3N2S/c1-17(2)16-30-22-14-13-19(25(26,27)28)15-21(22)29-24(30)23(18-9-5-3-6-10-18)31-20-11-7-4-8-12-20/h3-15,17,23H,16H2,1-2H3
InChIKeyFJKXACIQRCATAZ-UHFFFAOYSA-N
MW440.53 g/mol
LogP7.59
Rot. Bonds6

About 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole

1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole (PubChem CID 46310833) has the molecular formula C25H23F3N2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole
PubChem CID46310833
Molecular FormulaC25H23F3N2S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole
SMILESCC(C)Cn1c(C(Sc2ccccc2)c2ccccc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H23F3N2S/c1-17(2)16-30-22-14-13-19(25(26,27)28)15-21(22)29-24(30)23(18-9-5-3-6-10-18)31-20-11-7-4-8-12-20/h3-15,17,23H,16H2,1-2H3
InChIKeyFJKXACIQRCATAZ-UHFFFAOYSA-N
XLogP7.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[phenyl(phenylsulfanyl)methyl]-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310697
2-[phenyl(phenylsulfanyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310558
1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
CID 46310827
1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308238
1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878314
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46310823
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4815297
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole (CID 46310833) is 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole is CC(C)Cn1c(C(Sc2ccccc2)c2ccccc2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is FJKXACIQRCATAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2S/c1-17(2)16-30-22-14-13-19(25(26,27)28)15-21(22)29-24(30)23(18-9-5-3-6-10-18)31-20-11-7-4-8-12-20/h3-15,17,23H,16H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole?
1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 440.53 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[phenyl(phenylsulfanyl)methyl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).