2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide

C20H26ClN3O2S — CID 3212459

IUPAC2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide
SMILESCOCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C20H26ClN3O2S/c1-26-12-11-24-18(15-7-9-16(21)10-8-15)13-22-20(24)27-14-19(25)23-17-5-3-2-4-6-17/h7-10,13,17H,2-6,11-12,14H2,1H3,(H,23,25)
InChIKeyMHAOVDSWCCCQGM-UHFFFAOYSA-N
MW407.97 g/mol
LogP4.39
Rot. Bonds8

About 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide

2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide (PubChem CID 3212459) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide
PubChem CID3212459
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC Name2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide
SMILESCOCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C20H26ClN3O2S/c1-26-12-11-24-18(15-7-9-16(21)10-8-15)13-22-20(24)27-14-19(25)23-17-5-3-2-4-6-17/h7-10,13,17H,2-6,11-12,14H2,1H3,(H,23,25)
InChIKeyMHAOVDSWCCCQGM-UHFFFAOYSA-N
XLogP4.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3212461
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide
CID 7688752
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 46806440
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 654951
2-[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3212445
3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 51302944
2-[[5-[(4-chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide
CID 17302954
2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 2401925
N-cyclohexyl-2-[[3-(2-methoxyethyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 22430904
N-cyclohexyl-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7458973
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151889

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide (CID 3212459) is 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide is COCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide?
The InChIKey is MHAOVDSWCCCQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-26-12-11-24-18(15-7-9-16(21)10-8-15)13-22-20(24)27-14-19(25)23-17-5-3-2-4-6-17/h7-10,13,17H,2-6,11-12,14H2,1H3,(H,23,25).
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide?
2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide has a molecular weight of 407.97 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 3212459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).