2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide

C20H23N3O3 — CID 18121552

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
SMILESCCn1c(=O)n(CC(=O)NCCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-2-22-17-11-6-7-12-18(17)23(20(22)25)15-19(24)21-13-8-14-26-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,21,24)
InChIKeyUUEZGSPSVQWZHC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.41
Rot. Bonds8

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide (PubChem CID 18121552) 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-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
PubChem CID18121552
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
SMILESCCn1c(=O)n(CC(=O)NCCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-2-22-17-11-6-7-12-18(17)23(20(22)25)15-19(24)21-13-8-14-26-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,21,24)
InChIKeyUUEZGSPSVQWZHC-UHFFFAOYSA-N
XLogP2.41
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.41
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-methylphenoxy)ethyl]acetamide
CID 18121427
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
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
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
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
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 24647639
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 110396282
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide (CID 18121552) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide is CCn1c(=O)n(CC(=O)NCCCOc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
The InChIKey is UUEZGSPSVQWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-22-17-11-6-7-12-18(17)23(20(22)25)15-19(24)21-13-8-14-26-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,21,24).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.41, 8 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-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 18121552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).