2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C23H24ClN3O2S — CID 51439694

IUPAC2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H24ClN3O2S/c1-15-4-6-16(7-5-15)21-23(27-22(26-21)17-8-10-18(24)11-9-17)30-14-20(28)25-13-19-3-2-12-29-19/h4-11,19H,2-3,12-14H2,1H3,(H,25,28)(H,26,27)/t19-/m0/s1
InChIKeyXXUHWZPUSQIHCR-IBGZPJMESA-N
MW441.98 g/mol
LogP5.09
Rot. Bonds7

About 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 51439694) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID51439694
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC Name2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H24ClN3O2S/c1-15-4-6-16(7-5-15)21-23(27-22(26-21)17-8-10-18(24)11-9-17)30-14-20(28)25-13-19-3-2-12-29-19/h4-11,19H,2-3,12-14H2,1H3,(H,25,28)(H,26,27)/t19-/m0/s1
InChIKeyXXUHWZPUSQIHCR-IBGZPJMESA-N
XLogP5.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.98
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-chlorophenyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51467200
2-[[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51408170
2-[[2-(4-ethylphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51436051
2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51436052
2-[[5-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92657535
2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94201113
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2668191
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 17441890
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166
2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4673523
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1281723
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41239088

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 51439694) is 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is XXUHWZPUSQIHCR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-15-4-6-16(7-5-15)21-23(27-22(26-21)17-8-10-18(24)11-9-17)30-14-20(28)25-13-19-3-2-12-29-19/h4-11,19H,2-3,12-14H2,1H3,(H,25,28)(H,26,27)/t19-/m0/s1.
What are the key properties of 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 441.98 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 51439694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).