N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide

C18H16F3N3O3 — CID 15462244

IUPACN-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
SMILESO=C(N(CCOc1cccc2[nH]c(=O)[nH]c12)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)16(25)24(11-12-5-2-1-3-6-12)9-10-27-14-8-4-7-13-15(14)23-17(26)22-13/h1-8H,9-11H2,(H2,22,23,26)
InChIKeyHNOSOKVYNHSBQL-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.83
Rot. Bonds6

About N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide

N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide (PubChem CID 15462244) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
PubChem CID15462244
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
SMILESO=C(N(CCOc1cccc2[nH]c(=O)[nH]c12)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)16(25)24(11-12-5-2-1-3-6-12)9-10-27-14-8-4-7-13-15(14)23-17(26)22-13/h1-8H,9-11H2,(H2,22,23,26)
InChIKeyHNOSOKVYNHSBQL-UHFFFAOYSA-N
XLogP2.83
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
CID 15462245
N-benzyl-N-[2-[[7-chloro-3-(2,2,2-trifluoroacetyl)-1H-indol-4-yl]oxy]ethyl]-2,2,2-trifluoroacetamide
CID 10553198
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
6-benzyl-4-[3-(dimethylamino)propoxy]-1,3-dihydrobenzimidazol-2-one
CID 87756580
N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
CID 102119023
N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
CID 22660942
(3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide
CID 134385882
2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid
CID 67079314
N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 31236371
4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one
CID 163470938
N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 89362918
N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide
CID 4954876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide (CID 15462244) is N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide is O=C(N(CCOc1cccc2[nH]c(=O)[nH]c12)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
The InChIKey is HNOSOKVYNHSBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)16(25)24(11-12-5-2-1-3-6-12)9-10-27-14-8-4-7-13-15(14)23-17(26)22-13/h1-8H,9-11H2,(H2,22,23,26).
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 15462244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).