2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H18F3N3O — CID 17031747

IUPAC2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)18-9-6-10-19(15-18)28-23(31)16-30-21-12-5-4-11-20(21)29-22(30)14-13-17-7-2-1-3-8-17/h1-15H,16H2,(H,28,31)/b14-13+
InChIKeyKIGBWVRBUYKLJE-BUHFOSPRSA-N
MW421.42 g/mol
LogP5.86
Rot. Bonds5

About 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 17031747) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID17031747
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)18-9-6-10-19(15-18)28-23(31)16-30-21-12-5-4-11-20(21)29-22(30)14-13-17-7-2-1-3-8-17/h1-15H,16H2,(H,28,31)/b14-13+
InChIKeyKIGBWVRBUYKLJE-BUHFOSPRSA-N
XLogP5.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 5084870
N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032986
N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031753
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029844
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032646
2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029795
N-cyclopropyl-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031733

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 17031747) is 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KIGBWVRBUYKLJE-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H18F3N3O/c25-24(26,27)18-9-6-10-19(15-18)28-23(31)16-30-21-12-5-4-11-20(21)29-22(30)14-13-17-7-2-1-3-8-17/h1-15H,16H2,(H,28,31)/b14-13+.
What are the key properties of 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 421.42 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17031747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).