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

C18H19N3O2S — CID 6473670

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O2S/c1-4-24-16-8-6-5-7-13(16)17(22)19-12-9-10-14-15(11-12)21(3)18(23)20(14)2/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyKVJBPXXDWSUHBO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.24
Rot. Bonds4

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide (PubChem CID 6473670) 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-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide
PubChem CID6473670
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O2S/c1-4-24-16-8-6-5-7-13(16)17(22)19-12-9-10-14-15(11-12)21(3)18(23)20(14)2/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyKVJBPXXDWSUHBO-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-ethylsulfanylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide (CID 6473670) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide?
The InChIKey is KVJBPXXDWSUHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-4-24-16-8-6-5-7-13(16)17(22)19-12-9-10-14-15(11-12)21(3)18(23)20(14)2/h5-11H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide has a molecular weight of 341.44 g/mol, XLogP of 3.24, 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-ethylsulfanylbenzamide is sourced from PubChem (CID 6473670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).