2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide

C27H32ClN3OS — CID 51708151

IUPAC2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1
InChIInChI=1S/C27H32ClN3OS/c1-17-8-13-25(19(3)14-17)31-15-24(21-9-11-22(28)12-10-21)30-27(31)33-16-26(32)29-23-7-5-6-18(2)20(23)4/h8-15,18,20,23H,5-7,16H2,1-4H3,(H,29,32)/t18-,20-,23+/m0/s1
InChIKeyXMQDOFVESAEPKV-GREBRCKQSA-N
MW482.09 g/mol
LogP6.84
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide

2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 51708151) has the molecular formula C27H32ClN3OS and a molecular weight of 482.09 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
PubChem CID51708151
Molecular FormulaC27H32ClN3OS
Molecular Weight482.09 g/mol
Exact Mass481.20
IUPAC Name2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1
InChIInChI=1S/C27H32ClN3OS/c1-17-8-13-25(19(3)14-17)31-15-24(21-9-11-22(28)12-10-21)30-27(31)33-16-26(32)29-23-7-5-6-18(2)20(23)4/h8-15,18,20,23H,5-7,16H2,1-4H3,(H,29,32)/t18-,20-,23+/m0/s1
InChIKeyXMQDOFVESAEPKV-GREBRCKQSA-N
XLogP6.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.09
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11893656
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7870852
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 3292571
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6599965
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112780221
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 11892618
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4611668
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 18146343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide (CID 51708151) is 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is XMQDOFVESAEPKV-GREBRCKQSA-N. The full InChI is InChI=1S/C27H32ClN3OS/c1-17-8-13-25(19(3)14-17)31-15-24(21-9-11-22(28)12-10-21)30-27(31)33-16-26(32)29-23-7-5-6-18(2)20(23)4/h8-15,18,20,23H,5-7,16H2,1-4H3,(H,29,32)/t18-,20-,23+/m0/s1.
What are the key properties of 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide?
2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 482.09 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 51708151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).