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

C18H19N3O2 — CID 748212

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2/c1-4-12-5-7-13(8-6-12)17(22)19-14-9-10-15-16(11-14)21(3)18(23)20(15)2/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeySWLRYCVMAYAAOJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.69
Rot. Bonds3

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide (PubChem CID 748212) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide
PubChem CID748212
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2/c1-4-12-5-7-13(8-6-12)17(22)19-14-9-10-15-16(11-14)21(3)18(23)20(15)2/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeySWLRYCVMAYAAOJ-UHFFFAOYSA-N
XLogP2.69
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide (CID 748212) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide?
The InChIKey is SWLRYCVMAYAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-12-5-7-13(8-6-12)17(22)19-14-9-10-15-16(11-14)21(3)18(23)20(15)2/h5-11H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-ethylbenzamide is sourced from PubChem (CID 748212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).