N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide

C22H17F2N3O2S — CID 35397544

IUPACN-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C22H17F2N3O2S/c1-26-17-11-16(25-21(28)20-14(23)9-6-10-15(20)24)19(12-18(17)27(2)22(26)29)30-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,25,28)
InChIKeyGLKBIHLZCYJVRV-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.56
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide

N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide (PubChem CID 35397544) has the molecular formula C22H17F2N3O2S and a molecular weight of 425.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide
PubChem CID35397544
Molecular FormulaC22H17F2N3O2S
Molecular Weight425.46 g/mol
Exact Mass425.10
IUPAC NameN-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C22H17F2N3O2S/c1-26-17-11-16(25-21(28)20-14(23)9-6-10-15(20)24)19(12-18(17)27(2)22(26)29)30-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,25,28)
InChIKeyGLKBIHLZCYJVRV-UHFFFAOYSA-N
XLogP4.56
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-isopropylsulfanyl-benzamide
CID 6498925
1-(2-Fluorophenyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea
CID 16016653
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide
CID 6473670
N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-2,3-dihydroindole-1-carboxamide
CID 6623714
N-[1,3-Diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 50773109
N-[1,3-Dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzamide
CID 50773270
N-[1,3-Dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 50773470
N-[6-(Benzenesulfonyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 50824186
2-(2-Chlorophenyl)-N-[6-(4-fluorobenzenesulfonyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]acetamide
CID 50824193
3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 17408820
3-(cyclohexylmethyl)-6-(2,4-difluoroanilino)-5-[2-(dimethylamino)ethylsulfanyl]-1H-benzimidazol-2-one
CID 21937704
2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide
CID 145232075

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide (CID 35397544) is N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide is Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3c(F)cccc3F)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide?
The InChIKey is GLKBIHLZCYJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2S/c1-26-17-11-16(25-21(28)20-14(23)9-6-10-15(20)24)19(12-18(17)27(2)22(26)29)30-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,25,28).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide?
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide has a molecular weight of 425.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 35397544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).