1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone

C25H20Cl2N2OS — CID 3292571

IUPAC1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H20Cl2N2OS/c1-16-3-4-17(2)23(13-16)29-14-22(18-5-9-20(26)10-6-18)28-25(29)31-15-24(30)19-7-11-21(27)12-8-19/h3-14H,15H2,1-2H3
InChIKeyCVNAGMGZXBGRQL-UHFFFAOYSA-N
MW467.42 g/mol
LogP7.44
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone

1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 3292571) has the molecular formula C25H20Cl2N2OS and a molecular weight of 467.42 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID3292571
Molecular FormulaC25H20Cl2N2OS
Molecular Weight467.42 g/mol
Exact Mass466.07
IUPAC Name1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H20Cl2N2OS/c1-16-3-4-17(2)23(13-16)29-14-22(18-5-9-20(26)10-6-18)28-25(29)31-15-24(30)19-7-11-21(27)12-8-19/h3-14H,15H2,1-2H3
InChIKeyCVNAGMGZXBGRQL-UHFFFAOYSA-N
XLogP7.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 155805828
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4850763
1-(4-bromophenyl)-2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 155815708
2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 51708151
N-(4-chlorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4121670
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 829105
N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4126512
N-(5-chloro-2-methylphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23961762
2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 3166788
2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone
CID 3334815

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone (CID 3292571) is 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone is Cc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is CVNAGMGZXBGRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2OS/c1-16-3-4-17(2)23(13-16)29-14-22(18-5-9-20(26)10-6-18)28-25(29)31-15-24(30)19-7-11-21(27)12-8-19/h3-14H,15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone?
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 467.42 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 3292571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).