4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione

C24H25N3O3S — CID 54146336

IUPAC4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione
SMILESCc1ccc(-c2nc(SCCCN3C(=O)COCC3=O)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-16-4-8-18(9-5-16)22-23(19-10-6-17(2)7-11-19)26-24(25-22)31-13-3-12-27-20(28)14-30-15-21(27)29/h4-11H,3,12-15H2,1-2H3,(H,25,26)
InChIKeyOEQLFTVPYNFMDP-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.23
Rot. Bonds7

About 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione

4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione (PubChem CID 54146336) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione
PubChem CID54146336
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione
SMILESCc1ccc(-c2nc(SCCCN3C(=O)COCC3=O)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-16-4-8-18(9-5-16)22-23(19-10-6-17(2)7-11-19)26-24(25-22)31-13-3-12-27-20(28)14-30-15-21(27)29/h4-11H,3,12-15H2,1-2H3,(H,25,26)
InChIKeyOEQLFTVPYNFMDP-UHFFFAOYSA-N
XLogP4.23
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione with MolForge

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Related Compounds

1-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-3,3-dimethylpiperidine-2,6-dione
CID 67903640
4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-piperidin-1-ylbutan-1-one
CID 170246190
4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
CID 154445792
2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 3773711
(2S)-2-[[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-methyl-2,3-dihydropyran-6-one
CID 67901357
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
CID 4840323
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23804159
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23775094
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butan-1-one
CID 67920634
N-(4,6-dimethyl-2-pyridinyl)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide
CID 54116135

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione?
The IUPAC name of 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione (CID 54146336) is 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione?
The canonical SMILES for 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione is Cc1ccc(-c2nc(SCCCN3C(=O)COCC3=O)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione?
The InChIKey is OEQLFTVPYNFMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-4-8-18(9-5-16)22-23(19-10-6-17(2)7-11-19)26-24(25-22)31-13-3-12-27-20(28)14-30-15-21(27)29/h4-11H,3,12-15H2,1-2H3,(H,25,26).
What are the key properties of 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione?
4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione has a molecular weight of 435.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione is sourced from PubChem (CID 54146336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).