N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide

C18H19N3O2S — CID 2983864

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2S/c1-12-4-7-14(8-5-12)24-11-17(22)19-13-6-9-15-16(10-13)21(3)18(23)20(15)2/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyKCCKOGWRHZAJGC-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.92
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 2983864) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID2983864
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2S/c1-12-4-7-14(8-5-12)24-11-17(22)19-13-6-9-15-16(10-13)21(3)18(23)20(15)2/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyKCCKOGWRHZAJGC-UHFFFAOYSA-N
XLogP2.92
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide (CID 2983864) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is KCCKOGWRHZAJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-4-7-14(8-5-12)24-11-17(22)19-13-6-9-15-16(10-13)21(3)18(23)20(15)2/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 341.44 g/mol, XLogP of 2.92, 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-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 2983864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).