N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide

C17H13F4N3O — CID 90719945

IUPACN-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
SMILESCCn1c(NC(=O)c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13F4N3O/c1-2-24-14-8-5-11(17(19,20)21)9-13(14)22-16(24)23-15(25)10-3-6-12(18)7-4-10/h3-9H,2H2,1H3,(H,22,23,25)
InChIKeyXQHSEGNAHJREQJ-UHFFFAOYSA-N
MW351.30 g/mol
LogP4.47
Rot. Bonds3

About N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide

N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide (PubChem CID 90719945) has the molecular formula C17H13F4N3O and a molecular weight of 351.30 g/mol. Its IUPAC name is N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
PubChem CID90719945
Molecular FormulaC17H13F4N3O
Molecular Weight351.30 g/mol
Exact Mass351.10
IUPAC NameN-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
SMILESCCn1c(NC(=O)c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13F4N3O/c1-2-24-14-8-5-11(17(19,20)21)9-13(14)22-16(24)23-15(25)10-3-6-12(18)7-4-10/h3-9H,2H2,1H3,(H,22,23,25)
InChIKeyXQHSEGNAHJREQJ-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
CID 43050553
3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
CID 55461087
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17410225
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide
CID 75520441
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 43050535
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 60604429
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673
N-(1-ethylbenzimidazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 33196970
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
CID 142860950
N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]-4-fluorobenzamide
CID 42536661
N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1-propoxybutyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 166958127

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide (CID 90719945) is N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide is CCn1c(NC(=O)c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide?
The InChIKey is XQHSEGNAHJREQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O/c1-2-24-14-8-5-11(17(19,20)21)9-13(14)22-16(24)23-15(25)10-3-6-12(18)7-4-10/h3-9H,2H2,1H3,(H,22,23,25).
What are the key properties of N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide?
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide has a molecular weight of 351.30 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 90719945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).