1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole

C22H24ClFN2S — CID 22762871

IUPAC1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole
SMILESCCCC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccccc1Cl
InChIInChI=1S/C22H24ClFN2S/c1-2-12-22(16-26-15-14-25-17-26,27-21-6-4-3-5-20(21)23)13-11-18-7-9-19(24)10-8-18/h3-10,14-15,17H,2,11-13,16H2,1H3
InChIKeyNAAVKKWTJLEXKP-UHFFFAOYSA-N
MW402.97 g/mol
LogP6.64
Rot. Bonds9

About 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole

1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole (PubChem CID 22762871) has the molecular formula C22H24ClFN2S and a molecular weight of 402.97 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole
PubChem CID22762871
Molecular FormulaC22H24ClFN2S
Molecular Weight402.97 g/mol
Exact Mass402.13
IUPAC Name1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole
SMILESCCCC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccccc1Cl
InChIInChI=1S/C22H24ClFN2S/c1-2-12-22(16-26-15-14-25-17-26,27-21-6-4-3-5-20(21)23)13-11-18-7-9-19(24)10-8-18/h3-10,14-15,17H,2,11-13,16H2,1H3
InChIKeyNAAVKKWTJLEXKP-UHFFFAOYSA-N
XLogP6.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole?
The IUPAC name of 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole (CID 22762871) is 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole.
What is the SMILES notation for 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole?
The canonical SMILES for 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole is CCCC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole?
The InChIKey is NAAVKKWTJLEXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2S/c1-2-12-22(16-26-15-14-25-17-26,27-21-6-4-3-5-20(21)23)13-11-18-7-9-19(24)10-8-18/h3-10,14-15,17H,2,11-13,16H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole?
1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole has a molecular weight of 402.97 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole is sourced from PubChem (CID 22762871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).