N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

C22H14F3N3O2 — CID 1231005

IUPACN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)21(30)26-16-9-6-14(7-10-16)20-27-17-11-8-15(12-18(17)28-20)19(29)13-4-2-1-3-5-13/h1-12H,(H,26,30)(H,27,28)
InChIKeyXUXKEYBDOYIRJM-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.96
Rot. Bonds4

About N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 1231005) has the molecular formula C22H14F3N3O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID1231005
Molecular FormulaC22H14F3N3O2
Molecular Weight409.37 g/mol
Exact Mass409.10
IUPAC NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)21(30)26-16-9-6-14(7-10-16)20-27-17-11-8-15(12-18(17)28-20)19(29)13-4-2-1-3-5-13/h1-12H,(H,26,30)(H,27,28)
InChIKeyXUXKEYBDOYIRJM-UHFFFAOYSA-N
XLogP4.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CID 1231005) is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is O=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is XUXKEYBDOYIRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O2/c23-22(24,25)21(30)26-16-9-6-14(7-10-16)20-27-17-11-8-15(12-18(17)28-20)19(29)13-4-2-1-3-5-13/h1-12H,(H,26,30)(H,27,28).
What are the key properties of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 409.37 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1231005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).