N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

C17H17N3O3 — CID 1091844

IUPACN-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H17N3O3/c1-19-14-9-4-11(10-15(14)20(2)17(19)22)16(21)18-12-5-7-13(23-3)8-6-12/h4-10H,1-3H3,(H,18,21)
InChIKeyRZCKCZWUIKIUIO-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.14
Rot. Bonds3

About N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (PubChem CID 1091844) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
PubChem CID1091844
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H17N3O3/c1-19-14-9-4-11(10-15(14)20(2)17(19)22)16(21)18-12-5-7-13(23-3)8-6-12/h4-10H,1-3H3,(H,18,21)
InChIKeyRZCKCZWUIKIUIO-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-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (CID 1091844) is N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The InChIKey is RZCKCZWUIKIUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-19-14-9-4-11(10-15(14)20(2)17(19)22)16(21)18-12-5-7-13(23-3)8-6-12/h4-10H,1-3H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
N-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide 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-(4-methoxyphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 1091844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).