N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide

C19H21F3N4O3S — CID 38846412

IUPACN,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide
SMILESCCCn1c(Cn2cc(C(F)(F)F)ccc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H21F3N4O3S/c1-4-9-26-16-7-6-14(30(28,29)24(2)3)10-15(16)23-17(26)12-25-11-13(19(20,21)22)5-8-18(25)27/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyHGJDDYWWNLCTKQ-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.93
Rot. Bonds6

About N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide

N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide (PubChem CID 38846412) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide
PubChem CID38846412
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC NameN,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide
SMILESCCCn1c(Cn2cc(C(F)(F)F)ccc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H21F3N4O3S/c1-4-9-26-16-7-6-14(30(28,29)24(2)3)10-15(16)23-17(26)12-25-11-13(19(20,21)22)5-8-18(25)27/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyHGJDDYWWNLCTKQ-UHFFFAOYSA-N
XLogP2.93
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzimidazole-5-sulfonamide
CID 38846414
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-[[3-(trifluoromethyl)anilino]methyl]benzimidazole-5-sulfonamide
CID 46633443
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-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
CID 30028160
methyl 1-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667587
N,N-dimethyl-2-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1-propylbenzimidazole-5-sulfonamide
CID 34925412
2-[(3,4-difluoroanilino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 112799809
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 29114372
N,N-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]-1-propylbenzimidazole-5-sulfonamide
CID 29114607
1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 38846521
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 46818040

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide (CID 38846412) is N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide is CCCn1c(Cn2cc(C(F)(F)F)ccc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide?
The InChIKey is HGJDDYWWNLCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c1-4-9-26-16-7-6-14(30(28,29)24(2)3)10-15(16)23-17(26)12-25-11-13(19(20,21)22)5-8-18(25)27/h5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide?
N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide has a molecular weight of 442.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1-propylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 38846412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).