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

C22H19N3O2S — CID 12832390

IUPAC2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
SMILESCOc1ccc(-c2nc(Sc3ccccn3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-26-17-10-6-15(7-11-17)20-21(16-8-12-18(27-2)13-9-16)25-22(24-20)28-19-5-3-4-14-23-19/h3-14H,1-2H3,(H,24,25)
InChIKeyPJINSVZDDIRODC-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.31
Rot. Bonds6

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

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine (PubChem CID 12832390) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine.

Molecular Properties

Compound Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
PubChem CID12832390
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
SMILESCOc1ccc(-c2nc(Sc3ccccn3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-26-17-10-6-15(7-11-17)20-21(16-8-12-18(27-2)13-9-16)25-22(24-20)28-19-5-3-4-14-23-19/h3-14H,1-2H3,(H,24,25)
InChIKeyPJINSVZDDIRODC-UHFFFAOYSA-N
XLogP5.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
CID 12832321
4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
CID 12832380
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 2718104
2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine
CID 23175652
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
S-pyridin-2-yl 4-methoxybenzenecarbothioate
CID 5097621
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol
CID 23457651
1-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-sulfonamide
CID 69444385
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine?
The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine (CID 12832390) is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine.
What is the SMILES notation for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine?
The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine is COc1ccc(-c2nc(Sc3ccccn3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine?
The InChIKey is PJINSVZDDIRODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-26-17-10-6-15(7-11-17)20-21(16-8-12-18(27-2)13-9-16)25-22(24-20)28-19-5-3-4-14-23-19/h3-14H,1-2H3,(H,24,25).
What are the key properties of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine?
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine has a molecular weight of 389.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine is sourced from PubChem (CID 12832390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).