N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C17H17N3O3 — CID 113195260

IUPACN-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C17H17N3O3/c1-2-23-13-9-7-12(8-10-13)18-16(21)11-20-15-6-4-3-5-14(15)19-17(20)22/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyDWKXTSNKIKIHEN-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.37
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 113195260) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID113195260
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C17H17N3O3/c1-2-23-13-9-7-12(8-10-13)18-16(21)11-20-15-6-4-3-5-14(15)19-17(20)22/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyDWKXTSNKIKIHEN-UHFFFAOYSA-N
XLogP2.37
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112841596
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112830119
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119232018
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 86997374
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 87002434
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 17147912

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 113195260) is N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CCOc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is DWKXTSNKIKIHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-23-13-9-7-12(8-10-13)18-16(21)11-20-15-6-4-3-5-14(15)19-17(20)22/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 113195260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).