[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone

C21H20FN3OS — CID 39581666

IUPAC[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H20FN3OS/c22-17-6-8-18(9-7-17)25-19(14-23-21(25)27)20(26)24-12-10-16(11-13-24)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,23,27)
InChIKeySSNLYZTUDBXJAN-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.69
Rot. Bonds3

About [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone

[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 39581666) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID39581666
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H20FN3OS/c22-17-6-8-18(9-7-17)25-19(14-23-21(25)27)20(26)24-12-10-16(11-13-24)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,23,27)
InChIKeySSNLYZTUDBXJAN-UHFFFAOYSA-N
XLogP4.69
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 97033158
azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 18108153
(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 46652337
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 24544575
[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31832296
2-[4-[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543453
4-[[4-[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 24543608
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 17485339
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 34234262
(4-chloro-5-methyl-6-sulfanylidene-1H-pyridin-3-yl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412250

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 39581666) is [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is SSNLYZTUDBXJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c22-17-6-8-18(9-7-17)25-19(14-23-21(25)27)20(26)24-12-10-16(11-13-24)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,23,27).
What are the key properties of [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 39581666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).