2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide

C23H27N3O2S — CID 20852069

IUPAC2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H27N3O2S/c1-3-17-10-12-19(13-11-17)22-25-21(18-8-5-4-6-9-18)23(26-22)29-16-20(27)24-14-7-15-28-2/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQEBGIMOXPRBJTF-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.55
Rot. Bonds10

About 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide

2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (PubChem CID 20852069) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
PubChem CID20852069
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H27N3O2S/c1-3-17-10-12-19(13-11-17)22-25-21(18-8-5-4-6-9-18)23(26-22)29-16-20(27)24-14-7-15-28-2/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyQEBGIMOXPRBJTF-UHFFFAOYSA-N
XLogP4.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852085
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 15990304
2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852101
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-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-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2134650
2-[[2-(4-ethylphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51436051
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 15990329
2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 41193420
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851988

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (CID 20852069) is 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide is CCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is QEBGIMOXPRBJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-3-17-10-12-19(13-11-17)22-25-21(18-8-5-4-6-9-18)23(26-22)29-16-20(27)24-14-7-15-28-2/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 409.56 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 20852069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).