N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide

C15H10Cl3N3O — CID 1348553

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H10Cl3N3O/c16-15(17,18)14(22)19-10-7-5-9(6-8-10)13-20-11-3-1-2-4-12(11)21-13/h1-8H,(H,19,22)(H,20,21)
InChIKeyFTQWJPNJYVGEFZ-UHFFFAOYSA-N
MW354.62 g/mol
LogP4.54
Rot. Bonds2

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide (PubChem CID 1348553) has the molecular formula C15H10Cl3N3O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
PubChem CID1348553
Molecular FormulaC15H10Cl3N3O
Molecular Weight354.62 g/mol
Exact Mass352.99
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H10Cl3N3O/c16-15(17,18)14(22)19-10-7-5-9(6-8-10)13-20-11-3-1-2-4-12(11)21-13/h1-8H,(H,19,22)(H,20,21)
InChIKeyFTQWJPNJYVGEFZ-UHFFFAOYSA-N
XLogP4.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
(E)-4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobut-2-enoic acid
CID 6032890
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
CID 2393320
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 42110942
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide (CID 1348553) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide?
The InChIKey is FTQWJPNJYVGEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O/c16-15(17,18)14(22)19-10-7-5-9(6-8-10)13-20-11-3-1-2-4-12(11)21-13/h1-8H,(H,19,22)(H,20,21).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide has a molecular weight of 354.62 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 1348553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).