(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone

C22H23N3O2S — CID 86833858

IUPAC(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC(Oc3ccccc3)CC2)n1-c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-28-22-23-16-20(25(22)17-8-4-2-5-9-17)21(26)24-14-12-19(13-15-24)27-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyHILPAJZWTDUBOS-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.28
Rot. Bonds5

About (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone

(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 86833858) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID86833858
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC(Oc3ccccc3)CC2)n1-c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-28-22-23-16-20(25(22)17-8-4-2-5-9-17)21(26)24-14-12-19(13-15-24)27-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyHILPAJZWTDUBOS-UHFFFAOYSA-N
XLogP4.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 166338856
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060142
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060141
[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 134000431
[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 99804120
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 17463018
methyl 1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362687
N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17471181
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 40704923
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
2-methylsulfanyl-3-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 30875130

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone (CID 86833858) is (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone is CSc1ncc(C(=O)N2CCC(Oc3ccccc3)CC2)n1-c1ccccc1.
What is the InChIKey of (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is HILPAJZWTDUBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-28-22-23-16-20(25(22)17-8-4-2-5-9-17)21(26)24-14-12-19(13-15-24)27-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3.
What are the key properties of (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone?
(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 393.51 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 86833858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).