N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide

C19H17Cl2N3OS — CID 22428668

IUPACN-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide
SMILESCC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=N1
InChIInChI=1S/C19H17Cl2N3OS/c1-19(2)23-17(12-6-4-3-5-7-12)18(24-19)26-11-16(25)22-13-8-9-14(20)15(21)10-13/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyZERAVTDMYITZRB-UHFFFAOYSA-N
MW406.34 g/mol
LogP5.30
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide

N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide (PubChem CID 22428668) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide
PubChem CID22428668
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC NameN-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide
SMILESCC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=N1
InChIInChI=1S/C19H17Cl2N3OS/c1-19(2)23-17(12-6-4-3-5-7-12)18(24-19)26-11-16(25)22-13-8-9-14(20)15(21)10-13/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyZERAVTDMYITZRB-UHFFFAOYSA-N
XLogP5.30
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428669
N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428667
N-(3,4-dichlorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428871
2-[5-(4-bromophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 22428883
2-[[2-(4-bromophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 46246985
N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 46246989
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-[5-(4-butoxyphenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 53366916
2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22428544
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428644
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428895
N-(3-bromophenyl)-2-[5-(4-butoxyphenyl)-2,2-dimethylimidazol-4-yl]sulfanylacetamide
CID 53366935

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide (CID 22428668) is N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide is CC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=N1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide?
The InChIKey is ZERAVTDMYITZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-19(2)23-17(12-6-4-3-5-7-12)18(24-19)26-11-16(25)22-13-8-9-14(20)15(21)10-13/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide has a molecular weight of 406.34 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide is sourced from PubChem (CID 22428668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).