1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole

C18H15ClN2S — CID 3007440

IUPAC1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1SCc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C18H15ClN2S/c1-14(21-11-10-20-13-21)17-4-2-3-5-18(17)22-12-15-6-8-16(19)9-7-15/h2-11,13H,1,12H2
InChIKeyQPKUELVLEQOFBK-UHFFFAOYSA-N
MW326.85 g/mol
LogP5.35
Rot. Bonds5

About 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole

1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole (PubChem CID 3007440) has the molecular formula C18H15ClN2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole
PubChem CID3007440
Molecular FormulaC18H15ClN2S
Molecular Weight326.85 g/mol
Exact Mass326.06
IUPAC Name1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1SCc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C18H15ClN2S/c1-14(21-11-10-20-13-21)17-4-2-3-5-18(17)22-12-15-6-8-16(19)9-7-15/h2-11,13H,1,12H2
InChIKeyQPKUELVLEQOFBK-UHFFFAOYSA-N
XLogP5.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.85
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole (CID 3007440) is 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole is C=C(c1ccccc1SCc1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole?
The InChIKey is QPKUELVLEQOFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2S/c1-14(21-11-10-20-13-21)17-4-2-3-5-18(17)22-12-15-6-8-16(19)9-7-15/h2-11,13H,1,12H2.
What are the key properties of 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole?
1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole has a molecular weight of 326.85 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).