2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide

C17H14F3N3O3 — CID 174334932

IUPAC2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O3/c1-9(10-2-5-12(6-3-10)26-17(18,19)20)21-15(24)11-4-7-13-14(8-11)23-16(25)22-13/h2-9H,1H3,(H,21,24)(H2,22,23,25)
InChIKeyZBVCSKUWGTWGJI-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.25
Rot. Bonds4

About 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide

2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 174334932) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID174334932
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O3/c1-9(10-2-5-12(6-3-10)26-17(18,19)20)21-15(24)11-4-7-13-14(8-11)23-16(25)22-13/h2-9H,1H3,(H,21,24)(H2,22,23,25)
InChIKeyZBVCSKUWGTWGJI-UHFFFAOYSA-N
XLogP3.25
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55852205
3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46449405
6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 26111659
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 95289715
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
3-(cyclopropylsulfamoyl)-4-methoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55619767
2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46483070

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide (CID 174334932) is 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide is CC(NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is ZBVCSKUWGTWGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-9(10-2-5-12(6-3-10)26-17(18,19)20)21-15(24)11-4-7-13-14(8-11)23-16(25)22-13/h2-9H,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 174334932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).