2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide

C22H17N3O2S — CID 23824405

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(14-28-22-24-18-12-6-7-13-19(18)25-22)23-17-11-5-4-10-16(17)21(27)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyRFIDXKRSUPLJJT-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.52
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide (PubChem CID 23824405) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
PubChem CID23824405
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(14-28-22-24-18-12-6-7-13-19(18)25-22)23-17-11-5-4-10-16(17)21(27)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyRFIDXKRSUPLJJT-UHFFFAOYSA-N
XLogP4.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 1019067
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 6459655
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]pyridine-4-carbohydrazide
CID 4690916
methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 11837298
methyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2946638
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
CID 5187301
2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 134064897

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide (CID 23824405) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide?
The InChIKey is RFIDXKRSUPLJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-20(14-28-22-24-18-12-6-7-13-19(18)25-22)23-17-11-5-4-10-16(17)21(27)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,26)(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide is sourced from PubChem (CID 23824405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).