N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide

C23H24F3N3O4S — CID 50824372

IUPACN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C23H24F3N3O4S/c1-28-18-12-17(27-21(30)15-10-6-7-11-16(15)23(24,25)26)20(13-19(18)29(2)22(28)31)34(32,33)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,27,30)
InChIKeyOEEAXUUSWDIUMZ-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.25
Rot. Bonds4

About N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide

N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide (PubChem CID 50824372) has the molecular formula C23H24F3N3O4S and a molecular weight of 495.52 g/mol. Its IUPAC name is N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
PubChem CID50824372
Molecular FormulaC23H24F3N3O4S
Molecular Weight495.52 g/mol
Exact Mass495.14
IUPAC NameN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C23H24F3N3O4S/c1-28-18-12-17(27-21(30)15-10-6-7-11-16(15)23(24,25)26)20(13-19(18)29(2)22(28)31)34(32,33)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,27,30)
InChIKeyOEEAXUUSWDIUMZ-UHFFFAOYSA-N
XLogP4.25
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 50824181
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
CID 50824815
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
CID 50824132
N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
CID 16551146
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 50824443
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide
CID 43935386
N-[3-methyl-4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595403
N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-(trifluoromethyl)benzamide
CID 51098823
N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
CID 108796783
4-methyl-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 50946761

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide (CID 50824372) is N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is OEEAXUUSWDIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O4S/c1-28-18-12-17(27-21(30)15-10-6-7-11-16(15)23(24,25)26)20(13-19(18)29(2)22(28)31)34(32,33)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,27,30).
What are the key properties of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide?
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 495.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 50824372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).