N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

C19H15ClF3N3OS — CID 4132227

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C19H15ClF3N3OS/c1-12-3-2-4-14(9-12)26-8-7-24-18(26)28-11-17(27)25-16-10-13(19(21,22)23)5-6-15(16)20/h2-10H,11H2,1H3,(H,25,27)
InChIKeyYUAKGFDGJYFRRK-UHFFFAOYSA-N
MW425.86 g/mol
LogP5.58
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4132227) has the molecular formula C19H15ClF3N3OS and a molecular weight of 425.86 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4132227
Molecular FormulaC19H15ClF3N3OS
Molecular Weight425.86 g/mol
Exact Mass425.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C19H15ClF3N3OS/c1-12-3-2-4-14(9-12)26-8-7-24-18(26)28-11-17(27)25-16-10-13(19(21,22)23)5-6-15(16)20/h2-10H,11H2,1H3,(H,25,27)
InChIKeyYUAKGFDGJYFRRK-UHFFFAOYSA-N
XLogP5.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.86
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 16033189
N-(3-chloro-2-methylphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4275406
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-methylacetamide
CID 7151062
2-[1-[(4-Chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151082
2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide
CID 15987993
N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
2-{[1-(2-chloro-4-methylphenyl)-4-methyl-1H-imidazol-2-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
CID 25218437
1-(2-Chlorophenyl)-3-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 3483945
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3141765

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 4132227) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is YUAKGFDGJYFRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3OS/c1-12-3-2-4-14(9-12)26-8-7-24-18(26)28-11-17(27)25-16-10-13(19(21,22)23)5-6-15(16)20/h2-10H,11H2,1H3,(H,25,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 425.86 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4132227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).