N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide

C18H19N3O4 — CID 2991792

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O4/c1-20-12-9-8-11(10-13(12)21(2)18(20)23)19-17(22)16-14(24-3)6-5-7-15(16)25-4/h5-10H,1-4H3,(H,19,22)
InChIKeyHYJSXHDOVGTFQU-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.15
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide (PubChem CID 2991792) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide
PubChem CID2991792
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O4/c1-20-12-9-8-11(10-13(12)21(2)18(20)23)19-17(22)16-14(24-3)6-5-7-15(16)25-4/h5-10H,1-4H3,(H,19,22)
InChIKeyHYJSXHDOVGTFQU-UHFFFAOYSA-N
XLogP2.15
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide (CID 2991792) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide?
The InChIKey is HYJSXHDOVGTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-20-12-9-8-11(10-13(12)21(2)18(20)23)19-17(22)16-14(24-3)6-5-7-15(16)25-4/h5-10H,1-4H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide has a molecular weight of 341.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 2991792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).