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

C24H26Cl2FN3O2S — CID 66740544

IUPAC4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(C2CCN(S(C)(=O)=O)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H26Cl2FN3O2S/c1-24(2,17-4-9-20(25)21(26)14-17)22-15-28-23(30(22)19-7-5-18(27)6-8-19)16-10-12-29(13-11-16)33(3,31)32/h4-9,14-16H,10-13H2,1-3H3
InChIKeyHFNYSCSNIGAFBV-UHFFFAOYSA-N
MW510.46 g/mol
LogP5.78
Rot. Bonds5

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

4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine (PubChem CID 66740544) has the molecular formula C24H26Cl2FN3O2S and a molecular weight of 510.46 g/mol. Its IUPAC name is 4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine
PubChem CID66740544
Molecular FormulaC24H26Cl2FN3O2S
Molecular Weight510.46 g/mol
Exact Mass509.11
IUPAC Name4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(C2CCN(S(C)(=O)=O)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H26Cl2FN3O2S/c1-24(2,17-4-9-20(25)21(26)14-17)22-15-28-23(30(22)19-7-5-18(27)6-8-19)16-10-12-29(13-11-16)33(3,31)32/h4-9,14-16H,10-13H2,1-3H3
InChIKeyHFNYSCSNIGAFBV-UHFFFAOYSA-N
XLogP5.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.46
LogP ≤ 55.78
H-Bond Donors ≤ 50
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]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine (CID 66740544) is 4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(C2CCN(S(C)(=O)=O)CC2)n1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine?
The InChIKey is HFNYSCSNIGAFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN3O2S/c1-24(2,17-4-9-20(25)21(26)14-17)22-15-28-23(30(22)19-7-5-18(27)6-8-19)16-10-12-29(13-11-16)33(3,31)32/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of 4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine?
4-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]-1-methylsulfonylpiperidine has a molecular weight of 510.46 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 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]-1-methylsulfonylpiperidine is sourced from PubChem (CID 66740544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).