N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C20H20ClN3OS — CID 4578203

IUPACN-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C20H20ClN3OS/c1-13-8-14(2)10-17(9-13)24-7-6-22-20(24)26-12-19(25)23-16-5-4-15(3)18(21)11-16/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyWDUIEOODYUGZHS-UHFFFAOYSA-N
MW385.92 g/mol
LogP5.18
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4578203) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4578203
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C20H20ClN3OS/c1-13-8-14(2)10-17(9-13)24-7-6-22-20(24)26-12-19(25)23-16-5-4-15(3)18(21)11-16/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyWDUIEOODYUGZHS-UHFFFAOYSA-N
XLogP5.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 4578203) is N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is WDUIEOODYUGZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-13-8-14(2)10-17(9-13)24-7-6-22-20(24)26-12-19(25)23-16-5-4-15(3)18(21)11-16/h4-11H,12H2,1-3H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 385.92 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4578203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).