N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C24H20F3N3O2S — CID 59008063

IUPACN-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C24H20F3N3O2S/c1-33(31,32)30-20-8-3-2-7-17(20)15-9-10-21-22(12-15)29-23(28-21)19-13-18(19)14-5-4-6-16(11-14)24(25,26)27/h2-12,18-19,30H,13H2,1H3,(H,28,29)
InChIKeyMNLWZERKNXWUCA-UHFFFAOYSA-N
MW471.50 g/mol
LogP5.89
Rot. Bonds5

About N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 59008063) has the molecular formula C24H20F3N3O2S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID59008063
Molecular FormulaC24H20F3N3O2S
Molecular Weight471.50 g/mol
Exact Mass471.12
IUPAC NameN-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C24H20F3N3O2S/c1-33(31,32)30-20-8-3-2-7-17(20)15-9-10-21-22(12-15)29-23(28-21)19-13-18(19)14-5-4-6-16(11-14)24(25,26)27/h2-12,18-19,30H,13H2,1H3,(H,28,29)
InChIKeyMNLWZERKNXWUCA-UHFFFAOYSA-N
XLogP5.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonic acid
CID 58381185
1,1,1-trifluoro-N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 59007923
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 160540021
2-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 59008082
1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 158669467
N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 53341464
1,1,1-trifluoro-N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide
CID 59008054
1-[2-[2-(2-phenylcyclopropyl)-3H-benzimidazol-5-yl]phenyl]ethanone
CID 141198527
2-[2-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381134
2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008032
2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 159020983
2-[2-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-(4-methylphenyl)cyclopropyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 159941965

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 59008063) is N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is MNLWZERKNXWUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2S/c1-33(31,32)30-20-8-3-2-7-17(20)15-9-10-21-22(12-15)29-23(28-21)19-13-18(19)14-5-4-6-16(11-14)24(25,26)27/h2-12,18-19,30H,13H2,1H3,(H,28,29).
What are the key properties of N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 471.50 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59008063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).