2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide

C20H23N3O3 — CID 18121427

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCCOc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-3-22-17-6-4-5-7-18(17)23(20(22)25)14-19(24)21-12-13-26-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyDWFFYCQPXZRELM-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.33
Rot. Bonds7

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 18121427) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID18121427
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCCOc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-3-22-17-6-4-5-7-18(17)23(20(22)25)14-19(24)21-12-13-26-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyDWFFYCQPXZRELM-UHFFFAOYSA-N
XLogP2.33
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55903155
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 9490192
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 24647639
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55717025
N-[2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328550
2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799713
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
N-[2-(4-aminophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 119548641

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 18121427) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide is CCn1c(=O)n(CC(=O)NCCOc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is DWFFYCQPXZRELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-22-17-6-4-5-7-18(17)23(20(22)25)14-19(24)21-12-13-26-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 18121427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).