2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide

C21H22FN3O2S — CID 20852045

IUPAC2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C21H22FN3O2S/c1-14-3-5-15(6-4-14)19-21(28-13-18(26)23-11-12-27-2)25-20(24-19)16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMCBCSZWEURDSGN-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.05
Rot. Bonds8

About 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide

2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 20852045) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID20852045
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC Name2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C21H22FN3O2S/c1-14-3-5-15(6-4-14)19-21(28-13-18(26)23-11-12-27-2)25-20(24-19)16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMCBCSZWEURDSGN-UHFFFAOYSA-N
XLogP4.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-bromophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852047
2-[[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852085
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-(3-methoxypropyl)acetamide
CID 15990304
2-[[5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852089
2-[[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852039
2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852069
2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2134650
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 15990329
N-(3,4-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
CID 20852122
2-[[2-(4-bromophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851975
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide (CID 20852045) is 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(C)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is MCBCSZWEURDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c1-14-3-5-15(6-4-14)19-21(28-13-18(26)23-11-12-27-2)25-20(24-19)16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 20852045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).