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

C18H19N3O4 — CID 2986111

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O4/c1-20-15-9-4-12(10-16(15)21(2)18(20)23)19-17(22)11-25-14-7-5-13(24-3)6-8-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyQRTCAZGMLMNENL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.90
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 2986111) 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-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID2986111
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O4/c1-20-15-9-4-12(10-16(15)21(2)18(20)23)19-17(22)11-25-14-7-5-13(24-3)6-8-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyQRTCAZGMLMNENL-UHFFFAOYSA-N
XLogP1.90
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Oxiperomide
CID 68634
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
1-[2-(4-ethoxyphenoxy)ethyl]-1H-benzimidazole-2-thiol
CID 784629
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-phenoxy-acetamide
CID 2988430
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenoxyacetamide
CID 4367953
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 6459725
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 6500009
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide
CID 6500019
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 16766167
2-phenoxy-N-[2-(pyrrolidin-1-yl)phenyl]butanamide
CID 24817934
1-(3-phenoxypropyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 649414

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide (CID 2986111) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is QRTCAZGMLMNENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-20-15-9-4-12(10-16(15)21(2)18(20)23)19-17(22)11-25-14-7-5-13(24-3)6-8-14/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.90, 5 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-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 2986111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).