2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

C46H36F6N6O2 — CID 87834703

IUPAC2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1cccc(-c2cccc(C(F)(F)F)c2)c1.O=C(Cn1cnc2ccccc21)NCc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/2C23H18F3N3O/c24-23(25,26)19-8-4-7-18(12-19)17-6-3-5-16(11-17)13-27-22(30)14-29-15-28-20-9-1-2-10-21(20)29;24-23(25,26)19-9-2-1-8-18(19)17-7-5-6-16(12-17)13-27-22(30)14-29-15-28-20-10-3-4-11-21(20)29/h2*1-12,15H,13-14H2,(H,27,30)
InChIKeyGMONEADQIBUZPH-UHFFFAOYSA-N
MW818.82 g/mol
LogP10.08
Rot. Bonds10

About 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (PubChem CID 87834703) has the molecular formula C46H36F6N6O2 and a molecular weight of 818.82 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID87834703
Molecular FormulaC46H36F6N6O2
Molecular Weight818.82 g/mol
Exact Mass818.28
IUPAC Name2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1cccc(-c2cccc(C(F)(F)F)c2)c1.O=C(Cn1cnc2ccccc21)NCc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/2C23H18F3N3O/c24-23(25,26)19-8-4-7-18(12-19)17-6-3-5-16(11-17)13-27-22(30)14-29-15-28-20-9-1-2-10-21(20)29;24-23(25,26)19-9-2-1-8-18(19)17-7-5-6-16(12-17)13-27-22(30)14-29-15-28-20-10-3-4-11-21(20)29/h2*1-12,15H,13-14H2,(H,27,30)
InChIKeyGMONEADQIBUZPH-UHFFFAOYSA-N
XLogP10.08
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.82
LogP ≤ 510.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (CID 87834703) is 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is O=C(Cn1cnc2ccccc21)NCc1cccc(-c2cccc(C(F)(F)F)c2)c1.O=C(Cn1cnc2ccccc21)NCc1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The InChIKey is GMONEADQIBUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18F3N3O/c24-23(25,26)19-8-4-7-18(12-19)17-6-3-5-16(11-17)13-27-22(30)14-29-15-28-20-9-1-2-10-21(20)29;24-23(25,26)19-9-2-1-8-18(19)17-7-5-6-16(12-17)13-27-22(30)14-29-15-28-20-10-3-4-11-21(20)29/h2*1-12,15H,13-14H2,(H,27,30).
What are the key properties of 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 818.82 g/mol, XLogP of 10.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 87834703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).