N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide

C20H23F3N4O2S — CID 46633443

IUPACN,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide
SMILESCCCn1c(CNc2cccc(C(F)(F)F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H23F3N4O2S/c1-4-10-27-18-9-8-16(30(28,29)26(2)3)12-17(18)25-19(27)13-24-15-7-5-6-14(11-15)20(21,22)23/h5-9,11-12,24H,4,10,13H2,1-3H3
InChIKeyQWERQJCYYKNTMZ-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.33
Rot. Bonds7

About N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide

N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide (PubChem CID 46633443) has the molecular formula C20H23F3N4O2S and a molecular weight of 440.49 g/mol. Its IUPAC name is N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide
PubChem CID46633443
Molecular FormulaC20H23F3N4O2S
Molecular Weight440.49 g/mol
Exact Mass440.15
IUPAC NameN,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide
SMILESCCCn1c(CNc2cccc(C(F)(F)F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H23F3N4O2S/c1-4-10-27-18-9-8-16(30(28,29)26(2)3)12-17(18)25-19(27)13-24-15-7-5-6-14(11-15)20(21,22)23/h5-9,11-12,24H,4,10,13H2,1-3H3
InChIKeyQWERQJCYYKNTMZ-UHFFFAOYSA-N
XLogP4.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-difluoroanilino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 112799809
N,N-dimethyl-1-propyl-2-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzimidazole-5-sulfonamide
CID 39964979
N,N-dimethyl-1-propyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]benzimidazole-5-sulfonamide
CID 55535080
2-[(5-chloro-2-fluoroanilino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 46678234
N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide
CID 38846412
2-[(2-benzylanilino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 33163913
2-[[1-(2-fluorophenyl)ethylamino]methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 18191536
2-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 112771054
N,N-dimethyl-1-propyl-2-[(1-pyridin-3-ylethylamino)methyl]benzimidazole-5-sulfonamide
CID 112801808
2-[(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 75450782
N,N-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]-1-propylbenzimidazole-5-sulfonamide
CID 29114607
2-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 52586748

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide (CID 46633443) is N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide is CCCn1c(CNc2cccc(C(F)(F)F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide?
The InChIKey is QWERQJCYYKNTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2S/c1-4-10-27-18-9-8-16(30(28,29)26(2)3)12-17(18)25-19(27)13-24-15-7-5-6-14(11-15)20(21,22)23/h5-9,11-12,24H,4,10,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide?
N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide has a molecular weight of 440.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propyl-2-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 46633443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).