N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide

C17H17N3O2S — CID 6461251

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CSc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O2S/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)18-16(21)11-23-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyWUQYMVYOZCIDHV-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.61
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide (PubChem CID 6461251) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide
PubChem CID6461251
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CSc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O2S/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)18-16(21)11-23-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyWUQYMVYOZCIDHV-UHFFFAOYSA-N
XLogP2.61
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-(phenylthio)acetamide
CID 25105708
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-isopropylsulfanyl-benzamide
CID 6498925
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
CID 973024
3-[3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propyl]-1H-benzimidazol-2-one
CID 2088593
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide
CID 6473670
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-(methylsulfanyl)benzenesulfonamide
CID 5305977
2-Benzimidazolinone, 1-(1-(3-phenylsulfonylpropyl)-4-piperidyl)-
CID 424755
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 2972523
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 9551088
2-Benzimidazolinone, 1-(1-(3-phenylthiopropyl)-1,2,3,6-tetrahydro-4-pyridyl)-
CID 3063306
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17448314

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide (CID 6461251) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide is Cn1c(=O)n(C)c2cc(NC(=O)CSc3ccccc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide?
The InChIKey is WUQYMVYOZCIDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)18-16(21)11-23-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide has a molecular weight of 327.41 g/mol, XLogP of 2.61, 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-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 6461251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).