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

C25H20N4OS — CID 112783040

IUPACN-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESN#CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1
InChIInChI=1S/C25H20N4OS/c26-16-17-29(21-14-8-3-9-15-21)22(30)18-31-25-27-23(19-10-4-1-5-11-19)24(28-25)20-12-6-2-7-13-20/h1-15H,17-18H2,(H,27,28)
InChIKeyNMGYPWHSBRDFEH-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.39
Rot. Bonds7

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

N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 112783040) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID112783040
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC NameN-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESN#CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1
InChIInChI=1S/C25H20N4OS/c26-16-17-29(21-14-8-3-9-15-21)22(30)18-31-25-27-23(19-10-4-1-5-11-19)24(28-25)20-12-6-2-7-13-20/h1-15H,17-18H2,(H,27,28)
InChIKeyNMGYPWHSBRDFEH-UHFFFAOYSA-N
XLogP5.39
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 39759836
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649
N-(cyanomethyl)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706051
2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
CID 11740568
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 30052776
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 78763038
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 23175662
2-[[5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 135464382
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 43301599
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide (CID 112783040) is N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide is N#CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is NMGYPWHSBRDFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS/c26-16-17-29(21-14-8-3-9-15-21)22(30)18-31-25-27-23(19-10-4-1-5-11-19)24(28-25)20-12-6-2-7-13-20/h1-15H,17-18H2,(H,27,28).
What are the key properties of N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide?
N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 424.53 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 112783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).