2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H19ClN4O2S — CID 3469504

IUPAC2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2-c2ccccc2C)no1
InChIInChI=1S/C22H19ClN4O2S/c1-14-5-3-4-6-18(14)27-19(16-7-9-17(23)10-8-16)12-24-22(27)30-13-21(28)25-20-11-15(2)29-26-20/h3-12H,13H2,1-2H3,(H,25,26,28)
InChIKeyQUHHTQVZRUUGBA-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.53
Rot. Bonds6

About 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3469504) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3469504
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2-c2ccccc2C)no1
InChIInChI=1S/C22H19ClN4O2S/c1-14-5-3-4-6-18(14)27-19(16-7-9-17(23)10-8-16)12-24-22(27)30-13-21(28)25-20-11-15(2)29-26-20/h3-12H,13H2,1-2H3,(H,25,26,28)
InChIKeyQUHHTQVZRUUGBA-UHFFFAOYSA-N
XLogP5.53
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4189273
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122181827
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122182068
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122182076
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(5-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122182082
N-(5-methylisoxazol-3-yl)-2-((1-(m-tolyl)-1H-imidazol-2-yl)thio)acetamide
CID 3236861
2-((1-(4-chlorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 3241665
2-{[1-(3-Chlorophenyl)-1H-imidazol-2-YL]sulfanyl}-N-(5-methyl-1,2-oxazol-3-YL)acetamide
CID 866718
2-[[4-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2418754
2-({1-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-YL}sulfanyl)-N-(5-methyl-1,2-oxazol-3-YL)acetamide
CID 22576340
2-((5-(3,4-dichlorophenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 49672784
4-[[5-(4-Chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 4881203

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3469504) is 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2-c2ccccc2C)no1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is QUHHTQVZRUUGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-14-5-3-4-6-18(14)27-19(16-7-9-17(23)10-8-16)12-24-22(27)30-13-21(28)25-20-11-15(2)29-26-20/h3-12H,13H2,1-2H3,(H,25,26,28).
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 438.94 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3469504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).