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

C25H23N3OS — CID 39759836

IUPAC2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1
InChIInChI=1S/C25H23N3OS/c1-2-28(21-16-10-5-11-17-21)22(29)18-30-25-26-23(19-12-6-3-7-13-19)24(27-25)20-14-8-4-9-15-20/h3-17H,2,18H2,1H3,(H,26,27)
InChIKeyGPWIDOCNBUNUKP-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.89
Rot. Bonds7

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

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide (PubChem CID 39759836) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
PubChem CID39759836
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1
InChIInChI=1S/C25H23N3OS/c1-2-28(21-16-10-5-11-17-21)22(29)18-30-25-26-23(19-12-6-3-7-13-19)24(27-25)20-14-8-4-9-15-20/h3-17H,2,18H2,1H3,(H,26,27)
InChIKeyGPWIDOCNBUNUKP-UHFFFAOYSA-N
XLogP5.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649
N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 112783040
2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
CID 11740568
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
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 39759791
N-[4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 11796749
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 112781178
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 39757430
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 23175662
1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
CID 3672344
1,3-bis[(4,5-dipyridin-4-yl-1H-imidazol-2-yl)sulfanyl]propan-2-one
CID 70441477

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide (CID 39759836) is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The InChIKey is GPWIDOCNBUNUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-2-28(21-16-10-5-11-17-21)22(29)18-30-25-26-23(19-12-6-3-7-13-19)24(27-25)20-14-8-4-9-15-20/h3-17H,2,18H2,1H3,(H,26,27).
What are the key properties of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide has a molecular weight of 413.55 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 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-ethyl-N-phenylacetamide is sourced from PubChem (CID 39759836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).