4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine

C24H26Cl2FN3S — CID 46908170

IUPAC4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCC2CCNCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H26Cl2FN3S/c1-24(2,17-3-8-20(25)21(26)13-17)22-14-29-23(31-15-16-9-11-28-12-10-16)30(22)19-6-4-18(27)5-7-19/h3-8,13-14,16,28H,9-12,15H2,1-2H3
InChIKeyUCJCOGTUWIBNDQ-UHFFFAOYSA-N
MW478.46 g/mol
LogP6.74
Rot. Bonds6

About 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine

4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine (PubChem CID 46908170) has the molecular formula C24H26Cl2FN3S and a molecular weight of 478.46 g/mol. Its IUPAC name is 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine.

Molecular Properties

Compound Name4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine
PubChem CID46908170
Molecular FormulaC24H26Cl2FN3S
Molecular Weight478.46 g/mol
Exact Mass477.12
IUPAC Name4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCC2CCNCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H26Cl2FN3S/c1-24(2,17-3-8-20(25)21(26)13-17)22-14-29-23(31-15-16-9-11-28-12-10-16)30(22)19-6-4-18(27)5-7-19/h3-8,13-14,16,28H,9-12,15H2,1-2H3
InChIKeyUCJCOGTUWIBNDQ-UHFFFAOYSA-N
XLogP6.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.46
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine?
The IUPAC name of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine (CID 46908170) is 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine.
What is the SMILES notation for 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine?
The canonical SMILES for 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCC2CCNCC2)n1-c1ccc(F)cc1.
What is the InChIKey of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine?
The InChIKey is UCJCOGTUWIBNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN3S/c1-24(2,17-3-8-20(25)21(26)13-17)22-14-29-23(31-15-16-9-11-28-12-10-16)30(22)19-6-4-18(27)5-7-19/h3-8,13-14,16,28H,9-12,15H2,1-2H3.
What are the key properties of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine?
4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine has a molecular weight of 478.46 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidine is sourced from PubChem (CID 46908170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).