2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide

C23H27N3O4S — CID 15990304

IUPAC2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O4S/c1-28-14-4-13-24-20(27)15-31-23-21(16-5-9-18(29-2)10-6-16)25-22(26-23)17-7-11-19(30-3)12-8-17/h5-12H,4,13-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyVBXCXTYXAHVIIL-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.01
Rot. Bonds11

About 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide

2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (PubChem CID 15990304) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
PubChem CID15990304
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O4S/c1-28-14-4-13-24-20(27)15-31-23-21(16-5-9-18(29-2)10-6-16)25-22(26-23)17-7-11-19(30-3)12-8-17/h5-12H,4,13-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyVBXCXTYXAHVIIL-UHFFFAOYSA-N
XLogP4.01
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852101
2-[[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852085
2-[[5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852089
2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852069
2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852045
2-[[2-(4-bromophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852047
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 15990329
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851988
2-[[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852039
2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2134650
2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851990
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 7813279

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (CID 15990304) is 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(OC)cc1.
What is the InChIKey of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is VBXCXTYXAHVIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-28-14-4-13-24-20(27)15-31-23-21(16-5-9-18(29-2)10-6-16)25-22(26-23)17-7-11-19(30-3)12-8-17/h5-12H,4,13-15H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 441.55 g/mol, XLogP of 4.01, 11 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-(3-methoxypropyl)acetamide is sourced from PubChem (CID 15990304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).