1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole

C21H22ClFN2S — CID 22762868

IUPAC1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole
SMILESCC(CCCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccccc1Cl
InChIInChI=1S/C21H22ClFN2S/c1-21(15-25-14-13-24-16-25,26-20-7-3-2-6-19(20)22)12-4-5-17-8-10-18(23)11-9-17/h2-3,6-11,13-14,16H,4-5,12,15H2,1H3
InChIKeyUEMNNCBMGZAYMW-UHFFFAOYSA-N
MW388.94 g/mol
LogP6.25
Rot. Bonds8

About 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole

1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole (PubChem CID 22762868) has the molecular formula C21H22ClFN2S and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole
PubChem CID22762868
Molecular FormulaC21H22ClFN2S
Molecular Weight388.94 g/mol
Exact Mass388.12
IUPAC Name1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole
SMILESCC(CCCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccccc1Cl
InChIInChI=1S/C21H22ClFN2S/c1-21(15-25-14-13-24-16-25,26-20-7-3-2-6-19(20)22)12-4-5-17-8-10-18(23)11-9-17/h2-3,6-11,13-14,16H,4-5,12,15H2,1H3
InChIKeyUEMNNCBMGZAYMW-UHFFFAOYSA-N
XLogP6.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 56.25
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-5-(4-fluorophenyl)-2-methylpentyl]imidazole?
The IUPAC name of 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole (CID 22762868) is 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole.
What is the SMILES notation for 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole?
The canonical SMILES for 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole is CC(CCCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole?
The InChIKey is UEMNNCBMGZAYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2S/c1-21(15-25-14-13-24-16-25,26-20-7-3-2-6-19(20)22)12-4-5-17-8-10-18(23)11-9-17/h2-3,6-11,13-14,16H,4-5,12,15H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole?
1-[2-(2-chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole has a molecular weight of 388.94 g/mol, XLogP of 6.25, 8 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-5-(4-fluorophenyl)-2-methylpentyl]imidazole is sourced from PubChem (CID 22762868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).