N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide

C22H25N3O2S — CID 78854657

IUPACN-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C22H25N3O2S/c1-17-8-9-18(2)20(14-17)25-11-10-23-22(25)28-16-21(27)24(12-13-26)15-19-6-4-3-5-7-19/h3-11,14,26H,12-13,15-16H2,1-2H3
InChIKeyDQHNWUYYEOPHSO-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.60
Rot. Bonds8

About N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide (PubChem CID 78854657) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
PubChem CID78854657
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C22H25N3O2S/c1-17-8-9-18(2)20(14-17)25-11-10-23-22(25)28-16-21(27)24(12-13-26)15-19-6-4-3-5-7-19/h3-11,14,26H,12-13,15-16H2,1-2H3
InChIKeyDQHNWUYYEOPHSO-UHFFFAOYSA-N
XLogP3.60
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)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

N-benzyl-2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide
CID 78854674
benzyl (2R)-3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2-hydroxypropanoate
CID 97259855
3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24651767
N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670161
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
N-benzyl-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
CID 78854662
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
CID 41472991
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
3-[benzyl-[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanamide
CID 42150550
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
N-benzyl-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide
CID 78855170

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide (CID 78854657) is N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide is Cc1ccc(C)c(-n2ccnc2SCC(=O)N(CCO)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is DQHNWUYYEOPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-17-8-9-18(2)20(14-17)25-11-10-23-22(25)28-16-21(27)24(12-13-26)15-19-6-4-3-5-7-19/h3-11,14,26H,12-13,15-16H2,1-2H3.
What are the key properties of N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide?
N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78854657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).