2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole

C24H22N2O2S — CID 2718104

IUPAC2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H22N2O2S/c1-27-20-12-14-21(15-13-20)28-16-17-29-24-25-22(18-8-4-2-5-9-18)23(26-24)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,26)
InChIKeyOWNAKGOUMUXCLF-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.92
Rot. Bonds8

About 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole (PubChem CID 2718104) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
PubChem CID2718104
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H22N2O2S/c1-27-20-12-14-21(15-13-20)28-16-17-29-24-25-22(18-8-4-2-5-9-18)23(26-24)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,26)
InChIKeyOWNAKGOUMUXCLF-UHFFFAOYSA-N
XLogP5.92
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-nitrophenoxy)pentylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 10411893
4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
CID 135415843
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenylacetamide
CID 21104898
2-methylpropyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]benzoate
CID 10029476
2-methylpropyl 4-[8-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]octoxy]benzoate
CID 10257141
2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine
CID 23175652
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417
5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide
CID 69444235
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
CID 23973205
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
CID 12832390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole (CID 2718104) is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole is COc1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is OWNAKGOUMUXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-27-20-12-14-21(15-13-20)28-16-17-29-24-25-22(18-8-4-2-5-9-18)23(26-24)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,26).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole?
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 402.52 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 2718104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).