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

C17H17N3O3 — CID 6458480

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H17N3O3/c1-19-13-9-8-11(10-14(13)20(2)17(19)22)18-16(21)12-6-4-5-7-15(12)23-3/h4-10H,1-3H3,(H,18,21)
InChIKeyNRAOIQWWRCGIDB-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds3

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide (PubChem CID 6458480) 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)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide
PubChem CID6458480
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H17N3O3/c1-19-13-9-8-11(10-14(13)20(2)17(19)22)18-16(21)12-6-4-5-7-15(12)23-3/h4-10H,1-3H3,(H,18,21)
InChIKeyNRAOIQWWRCGIDB-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)-2-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide (CID 6458480) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide?
The InChIKey is NRAOIQWWRCGIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-19-13-9-8-11(10-14(13)20(2)17(19)22)18-16(21)12-6-4-5-7-15(12)23-3/h4-10H,1-3H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-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)-2-methoxybenzamide is sourced from PubChem (CID 6458480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).