N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide

C20H22F3N3O6S — CID 118896790

IUPACN-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc2c(cc1Oc1cccc(OCC(F)(F)F)c1)n(C)c(=O)n2C
InChIInChI=1S/C20H22F3N3O6S/c1-25-16-10-15(24-33(28,29)8-7-30-3)18(11-17(16)26(2)19(25)27)32-14-6-4-5-13(9-14)31-12-20(21,22)23/h4-6,9-11,24H,7-8,12H2,1-3H3
InChIKeyQXZLKMAXCPECJQ-UHFFFAOYSA-N
MW489.47 g/mol
LogP3.00
Rot. Bonds9

About N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide

N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide (PubChem CID 118896790) has the molecular formula C20H22F3N3O6S and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide
PubChem CID118896790
Molecular FormulaC20H22F3N3O6S
Molecular Weight489.47 g/mol
Exact Mass489.12
IUPAC NameN-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc2c(cc1Oc1cccc(OCC(F)(F)F)c1)n(C)c(=O)n2C
InChIInChI=1S/C20H22F3N3O6S/c1-25-16-10-15(24-33(28,29)8-7-30-3)18(11-17(16)26(2)19(25)27)32-14-6-4-5-13(9-14)31-12-20(21,22)23/h4-6,9-11,24H,7-8,12H2,1-3H3
InChIKeyQXZLKMAXCPECJQ-UHFFFAOYSA-N
XLogP3.00
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide (CID 118896790) is N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1cc2c(cc1Oc1cccc(OCC(F)(F)F)c1)n(C)c(=O)n2C.
What is the InChIKey of N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide?
The InChIKey is QXZLKMAXCPECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O6S/c1-25-16-10-15(24-33(28,29)8-7-30-3)18(11-17(16)26(2)19(25)27)32-14-6-4-5-13(9-14)31-12-20(21,22)23/h4-6,9-11,24H,7-8,12H2,1-3H3.
What are the key properties of N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide?
N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide has a molecular weight of 489.47 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethyl-2-oxo-6-[3-(2,2,2-trifluoroethoxy)phenoxy]benzimidazol-5-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 118896790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).