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

C26H25N3O4S — CID 15990329

IUPAC2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25N3O4S/c1-31-20-10-4-17(5-11-20)24-26(29-25(28-24)18-6-12-21(32-2)13-7-18)34-16-23(30)27-19-8-14-22(33-3)15-9-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXJJJKPFCRFFVOH-UHFFFAOYSA-N
MW475.57 g/mol
LogP5.50
Rot. Bonds9

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

2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 15990329) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID15990329
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25N3O4S/c1-31-20-10-4-17(5-11-20)24-26(29-25(28-24)18-6-12-21(32-2)13-7-18)34-16-23(30)27-19-8-14-22(33-3)15-9-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXJJJKPFCRFFVOH-UHFFFAOYSA-N
XLogP5.50
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2134650
N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
CID 20852132
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 15990304
2-[[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 20851998
N-(3,4-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
CID 20852122
2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852101
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851988
N-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3600264
2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851990
N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 936817
4-[[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 7901440
N-(1,3-benzodioxol-5-yl)-2-[[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
CID 20852129

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 15990329) is 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XJJJKPFCRFFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-31-20-10-4-17(5-11-20)24-26(29-25(28-24)18-6-12-21(32-2)13-7-18)34-16-23(30)27-19-8-14-22(33-3)15-9-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 475.57 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 15990329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).