4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide

C21H20F3N3O — CID 2324477

IUPAC4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C21H20F3N3O/c1-20(2,3)15-6-4-14(5-7-15)19(28)25-10-11-27-13-26-17-12-16(21(22,23)24)8-9-18(17)27/h4-13H,1-3H3,(H,25,28)/b11-10+
InChIKeyGJKCRLUTAHWJOC-ZHACJKMWSA-N
MW387.41 g/mol
LogP5.21
Rot. Bonds3

About 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide

4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide (PubChem CID 2324477) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
PubChem CID2324477
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C21H20F3N3O/c1-20(2,3)15-6-4-14(5-7-15)19(28)25-10-11-27-13-26-17-12-16(21(22,23)24)8-9-18(17)27/h4-13H,1-3H3,(H,25,28)/b11-10+
InChIKeyGJKCRLUTAHWJOC-ZHACJKMWSA-N
XLogP5.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide (CID 2324477) is 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is CC(C)(C)c1ccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The InChIKey is GJKCRLUTAHWJOC-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-20(2,3)15-6-4-14(5-7-15)19(28)25-10-11-27-13-26-17-12-16(21(22,23)24)8-9-18(17)27/h4-13H,1-3H3,(H,25,28)/b11-10+.
What are the key properties of 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is sourced from PubChem (CID 2324477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).