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

C19H18F3N3O3 — CID 15462245

IUPAC2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
SMILESCc1ccc(CN(CCOc2cccc3[nH]c(=O)[nH]c23)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O3/c1-12-5-7-13(8-6-12)11-25(17(26)19(20,21)22)9-10-28-15-4-2-3-14-16(15)24-18(27)23-14/h2-8H,9-11H2,1H3,(H2,23,24,27)
InChIKeyDSWDWCRBGMQZEG-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.13
Rot. Bonds6

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

2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide (PubChem CID 15462245) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
PubChem CID15462245
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
SMILESCc1ccc(CN(CCOc2cccc3[nH]c(=O)[nH]c23)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O3/c1-12-5-7-13(8-6-12)11-25(17(26)19(20,21)22)9-10-28-15-4-2-3-14-16(15)24-18(27)23-14/h2-8H,9-11H2,1H3,(H2,23,24,27)
InChIKeyDSWDWCRBGMQZEG-UHFFFAOYSA-N
XLogP3.13
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide (CID 15462245) is 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide is Cc1ccc(CN(CCOc2cccc3[nH]c(=O)[nH]c23)C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
The InChIKey is DSWDWCRBGMQZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-12-5-7-13(8-6-12)11-25(17(26)19(20,21)22)9-10-28-15-4-2-3-14-16(15)24-18(27)23-14/h2-8H,9-11H2,1H3,(H2,23,24,27).
What are the key properties of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide?
2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 15462245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).