3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide

C21H25N3O3 — CID 30859218

IUPAC3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C21H25N3O3/c1-2-14-23-18-10-6-7-11-19(18)24(21(23)26)15-12-20(25)22-13-16-27-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyXEQDSNDSZOQCHX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.80
Rot. Bonds9

About 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide (PubChem CID 30859218) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
PubChem CID30859218
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C21H25N3O3/c1-2-14-23-18-10-6-7-11-19(18)24(21(23)26)15-12-20(25)22-13-16-27-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyXEQDSNDSZOQCHX-UHFFFAOYSA-N
XLogP2.80
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.80
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

N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 110396282
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55717025
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
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
methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate
CID 55709096
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide (CID 30859218) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide is CCCn1c(=O)n(CCC(=O)NCCOc2ccccc2)c2ccccc21.
What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide?
The InChIKey is XEQDSNDSZOQCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-14-23-18-10-6-7-11-19(18)24(21(23)26)15-12-20(25)22-13-16-27-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25).
What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide?
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 30859218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).