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

C21H25N3O2 — CID 55587797

IUPACN-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCN(CCc1ccccc1)C(=O)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-3-22(15-14-17-10-6-5-7-11-17)20(25)16-24-19-13-9-8-12-18(19)23(4-2)21(24)26/h5-13H,3-4,14-16H2,1-2H3
InChIKeyORWPAPXGVWPGEO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.91
Rot. Bonds7

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

N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 55587797) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID55587797
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCN(CCc1ccccc1)C(=O)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-3-22(15-14-17-10-6-5-7-11-17)20(25)16-24-19-13-9-8-12-18(19)23(4-2)21(24)26/h5-13H,3-4,14-16H2,1-2H3
InChIKeyORWPAPXGVWPGEO-UHFFFAOYSA-N
XLogP2.91
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120886492
N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 134031593
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
N-ethyl-2-indol-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 110702427
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
2-anilino-N-ethyl-N-(2-phenylethyl)acetamide
CID 60946372
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
N-(2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 111122153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide (CID 55587797) is N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide is CCN(CCc1ccccc1)C(=O)Cn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is ORWPAPXGVWPGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-22(15-14-17-10-6-5-7-11-17)20(25)16-24-19-13-9-8-12-18(19)23(4-2)21(24)26/h5-13H,3-4,14-16H2,1-2H3.
What are the key properties of N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 55587797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).