N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide

C23H20F3N3O3S — CID 69107790

IUPACN-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cn2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H20F3N3O3S/c1-33(31,32)27-19-12-8-17(9-13-19)15-29-21-5-3-2-4-20(21)28(22(29)30)14-16-6-10-18(11-7-16)23(24,25)26/h2-13,27H,14-15H2,1H3
InChIKeySNXWEEHJRWUGNU-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.29
Rot. Bonds6

About N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide

N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 69107790) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID69107790
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC NameN-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cn2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H20F3N3O3S/c1-33(31,32)27-19-12-8-17(9-13-19)15-29-21-5-3-2-4-20(21)28(22(29)30)14-16-6-10-18(11-7-16)23(24,25)26/h2-13,27H,14-15H2,1H3
InChIKeySNXWEEHJRWUGNU-UHFFFAOYSA-N
XLogP4.29
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-aminophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one;hydrochloride
CID 171925994
N-[4-[[3-[(4-tert-butylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 11949830
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 2744505
N-[4-[(5,7-dioxo-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-6-yl)methyl]phenyl]methanesulfonamide
CID 21190176
N-[4-[(E)-3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]phenyl]methanesulfonamide
CID 31293430
3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569438
3-[(4-chlorophenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-sulfonamide
CID 100751718
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 53110671
1-[[4-(bromomethyl)phenyl]methyl]-3-methylbenzimidazol-2-one
CID 142914206
1-[(4-aminophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-2-one
CID 67991536

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide (CID 69107790) is N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cn2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1.
What is the InChIKey of N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is SNXWEEHJRWUGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c1-33(31,32)27-19-12-8-17(9-13-19)15-29-21-5-3-2-4-20(21)28(22(29)30)14-16-6-10-18(11-7-16)23(24,25)26/h2-13,27H,14-15H2,1H3.
What are the key properties of N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide?
N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 475.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69107790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).