2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole

C20H15FN2S — CID 68975178

IUPAC2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc2cc(-c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C20H15FN2S/c1-23-11-10-22-20(23)24-19-9-6-16-12-15(2-3-17(16)13-19)14-4-7-18(21)8-5-14/h2-13H,1H3
InChIKeySOMKROGMRWPIIM-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.53
Rot. Bonds3

About 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole

2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole (PubChem CID 68975178) has the molecular formula C20H15FN2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole
PubChem CID68975178
Molecular FormulaC20H15FN2S
Molecular Weight334.42 g/mol
Exact Mass334.09
IUPAC Name2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc2cc(-c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C20H15FN2S/c1-23-11-10-22-20(23)24-19-9-6-16-12-15(2-3-17(16)13-19)14-4-7-18(21)8-5-14/h2-13H,1H3
InChIKeySOMKROGMRWPIIM-UHFFFAOYSA-N
XLogP5.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole?
The IUPAC name of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole (CID 68975178) is 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole?
The canonical SMILES for 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole is Cn1ccnc1Sc1ccc2cc(-c3ccc(F)cc3)ccc2c1.
What is the InChIKey of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole?
The InChIKey is SOMKROGMRWPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2S/c1-23-11-10-22-20(23)24-19-9-6-16-12-15(2-3-17(16)13-19)14-4-7-18(21)8-5-14/h2-13H,1H3.
What are the key properties of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole?
2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole has a molecular weight of 334.42 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfanyl-1-methylimidazole is sourced from PubChem (CID 68975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).