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

C17H17N3O3 — CID 2988057

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H17N3O3/c1-19-14-8-7-12(10-15(14)20(2)17(19)22)18-16(21)11-5-4-6-13(9-11)23-3/h4-10H,1-3H3,(H,18,21)
InChIKeyHKTKWXDSSQNEDD-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds3

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide (PubChem CID 2988057) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide
PubChem CID2988057
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H17N3O3/c1-19-14-8-7-12(10-15(14)20(2)17(19)22)18-16(21)11-5-4-6-13(9-11)23-3/h4-10H,1-3H3,(H,18,21)
InChIKeyHKTKWXDSSQNEDD-UHFFFAOYSA-N
XLogP2.14
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.14
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)-3-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide (CID 2988057) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide?
The InChIKey is HKTKWXDSSQNEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-19-14-8-7-12(10-15(14)20(2)17(19)22)18-16(21)11-5-4-6-13(9-11)23-3/h4-10H,1-3H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide has a molecular weight of 311.34 g/mol, XLogP of 2.14, 3 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)-3-methoxybenzamide is sourced from PubChem (CID 2988057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).