2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine

C24H24N4O4S2 — CID 23175652

IUPAC2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine
SMILESCOc1ccc(-c2nc(SCCCS(=O)(=O)c3ncccn3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-31-19-9-5-17(6-10-19)21-22(18-7-11-20(32-2)12-8-18)28-23(27-21)33-15-4-16-34(29,30)24-25-13-3-14-26-24/h3,5-14H,4,15-16H2,1-2H3,(H,27,28)
InChIKeyOILGPIJTCMHFKR-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.51
Rot. Bonds10

About 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine

2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine (PubChem CID 23175652) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine.

Molecular Properties

Compound Name2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine
PubChem CID23175652
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine
SMILESCOc1ccc(-c2nc(SCCCS(=O)(=O)c3ncccn3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-31-19-9-5-17(6-10-19)21-22(18-7-11-20(32-2)12-8-18)28-23(27-21)33-15-4-16-34(29,30)24-25-13-3-14-26-24/h3,5-14H,4,15-16H2,1-2H3,(H,27,28)
InChIKeyOILGPIJTCMHFKR-UHFFFAOYSA-N
XLogP4.51
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 2718104
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
CID 12832390
1-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-sulfonamide
CID 69444385
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25039874
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenylacetamide
CID 21104898
1-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4559601
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25049653
5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide
CID 69444235
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
3-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804202
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861401

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine?
The IUPAC name of 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine (CID 23175652) is 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine.
What is the SMILES notation for 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine?
The canonical SMILES for 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine is COc1ccc(-c2nc(SCCCS(=O)(=O)c3ncccn3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine?
The InChIKey is OILGPIJTCMHFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-31-19-9-5-17(6-10-19)21-22(18-7-11-20(32-2)12-8-18)28-23(27-21)33-15-4-16-34(29,30)24-25-13-3-14-26-24/h3,5-14H,4,15-16H2,1-2H3,(H,27,28).
What are the key properties of 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine?
2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine has a molecular weight of 496.61 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine is sourced from PubChem (CID 23175652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).