N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide

C24H20F3N3O2S — CID 67165657

IUPACN-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCn1c(C=Cc2ccc(C(F)(F)F)cc2)nc2cc(-c3ccccc3NS(C)(=O)=O)ccc21
InChIInChI=1S/C24H20F3N3O2S/c1-30-22-13-10-17(19-5-3-4-6-20(19)29-33(2,31)32)15-21(22)28-23(30)14-9-16-7-11-18(12-8-16)24(25,26)27/h3-15,29H,1-2H3
InChIKeyCIKPKECUWZSXHR-UHFFFAOYSA-N
MW471.50 g/mol
LogP5.80
Rot. Bonds5

About N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide

N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 67165657) has the molecular formula C24H20F3N3O2S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID67165657
Molecular FormulaC24H20F3N3O2S
Molecular Weight471.50 g/mol
Exact Mass471.12
IUPAC NameN-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCn1c(C=Cc2ccc(C(F)(F)F)cc2)nc2cc(-c3ccccc3NS(C)(=O)=O)ccc21
InChIInChI=1S/C24H20F3N3O2S/c1-30-22-13-10-17(19-5-3-4-6-20(19)29-33(2,31)32)15-21(22)28-23(30)14-9-16-7-11-18(12-8-16)24(25,26)27/h3-15,29H,1-2H3
InChIKeyCIKPKECUWZSXHR-UHFFFAOYSA-N
XLogP5.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide (CID 67165657) is N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide is Cn1c(C=Cc2ccc(C(F)(F)F)cc2)nc2cc(-c3ccccc3NS(C)(=O)=O)ccc21.
What is the InChIKey of N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is CIKPKECUWZSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2S/c1-30-22-13-10-17(19-5-3-4-6-20(19)29-33(2,31)32)15-21(22)28-23(30)14-9-16-7-11-18(12-8-16)24(25,26)27/h3-15,29H,1-2H3.
What are the key properties of N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide?
N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 471.50 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 67165657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).