N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

C18H15ClFN3OS — CID 40665623

IUPACN-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C18H15ClFN3OS/c1-12-3-2-4-14(9-12)23-8-7-21-18(23)25-11-17(24)22-16-6-5-13(20)10-15(16)19/h2-10H,11H2,1H3,(H,22,24)
InChIKeyHDFVCEWDVRSHCM-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.70
Rot. Bonds5

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

N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 40665623) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID40665623
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C18H15ClFN3OS/c1-12-3-2-4-14(9-12)23-8-7-21-18(23)25-11-17(24)22-16-6-5-13(20)10-15(16)19/h2-10H,11H2,1H3,(H,22,24)
InChIKeyHDFVCEWDVRSHCM-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
N-(2-bromo-4-methylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063099
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 4055089
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8010785
N-(3,4-dichlorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119321
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-(2-chloro-4-methylphenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568602
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36621913
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 40665623) is N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is HDFVCEWDVRSHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c1-12-3-2-4-14(9-12)23-8-7-21-18(23)25-11-17(24)22-16-6-5-13(20)10-15(16)19/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 375.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 40665623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).