2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide

C23H19N3OS — CID 1286376

IUPAC2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-20(24-19-14-8-3-9-15-19)16-28-23-25-21(17-10-4-1-5-11-17)22(26-23)18-12-6-2-7-13-18/h1-15H,16H2,(H,24,27)(H,25,26)
InChIKeyXOAUAAMRXSBJKS-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.47
Rot. Bonds6

About 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 1286376) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID1286376
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-20(24-19-14-8-3-9-15-19)16-28-23-25-21(17-10-4-1-5-11-17)22(26-23)18-12-6-2-7-13-18/h1-15H,16H2,(H,24,27)(H,25,26)
InChIKeyXOAUAAMRXSBJKS-UHFFFAOYSA-N
XLogP5.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2478928
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 39759791
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 39757430
N-[4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 11796749
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
CID 23861371
methyl 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 39922393
N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17138635
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 30052776
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 4780048
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
CID 23973205
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide (CID 1286376) is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccccc1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is XOAUAAMRXSBJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c27-20(24-19-14-8-3-9-15-19)16-28-23-25-21(17-10-4-1-5-11-17)22(26-23)18-12-6-2-7-13-18/h1-15H,16H2,(H,24,27)(H,25,26).
What are the key properties of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 385.49 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1286376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).