2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C22H16F3N3O — CID 67021639

IUPAC2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)16-4-3-5-17(13-16)27-21(29)12-15-8-10-18(11-9-15)28-14-26-19-6-1-2-7-20(19)28/h1-11,13-14H,12H2,(H,27,29)
InChIKeyUINFFMDHZCBKSO-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.23
Rot. Bonds4

About 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 67021639) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID67021639
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)16-4-3-5-17(13-16)27-21(29)12-15-8-10-18(11-9-15)28-14-26-19-6-1-2-7-20(19)28/h1-11,13-14H,12H2,(H,27,29)
InChIKeyUINFFMDHZCBKSO-UHFFFAOYSA-N
XLogP5.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(benzimidazol-1-yl)phenyl]-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]acetamide
CID 25066424
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 11993681
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 25065372
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
CID 67315553
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]acetamide;2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 161266559
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
CID 55379419
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
2-(1,3-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110686374

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 67021639) is 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UINFFMDHZCBKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-22(24,25)16-4-3-5-17(13-16)27-21(29)12-15-8-10-18(11-9-15)28-14-26-19-6-1-2-7-20(19)28/h1-11,13-14H,12H2,(H,27,29).
What are the key properties of 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 395.38 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67021639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).