N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide

C21H16ClN3OS — CID 1342009

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16ClN3OS/c22-15-7-11-17(12-8-15)27-13-20(26)23-16-9-5-14(6-10-16)21-24-18-3-1-2-4-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyVFFGQBVJIVFZLI-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.61
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 1342009) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID1342009
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16ClN3OS/c22-15-7-11-17(12-8-15)27-13-20(26)23-16-9-5-14(6-10-16)21-24-18-3-1-2-4-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyVFFGQBVJIVFZLI-UHFFFAOYSA-N
XLogP5.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 1342009) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is VFFGQBVJIVFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3OS/c22-15-7-11-17(12-8-15)27-13-20(26)23-16-9-5-14(6-10-16)21-24-18-3-1-2-4-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 393.90 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 1342009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).