2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole

C25H23FN2S — CID 3798862

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole
SMILESCCCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H23FN2S/c1-2-17-28-24(21-11-7-4-8-12-21)23(20-9-5-3-6-10-20)27-25(28)29-18-19-13-15-22(26)16-14-19/h3-16H,2,17-18H2,1H3
InChIKeyYLQCSJJTCFYROC-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.06
Rot. Bonds7

About 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole

2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole (PubChem CID 3798862) has the molecular formula C25H23FN2S and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole
PubChem CID3798862
Molecular FormulaC25H23FN2S
Molecular Weight402.54 g/mol
Exact Mass402.16
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole
SMILESCCCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H23FN2S/c1-2-17-28-24(21-11-7-4-8-12-21)23(20-9-5-3-6-10-20)27-25(28)29-18-19-13-15-22(26)16-14-19/h3-16H,2,17-18H2,1H3
InChIKeyYLQCSJJTCFYROC-UHFFFAOYSA-N
XLogP7.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole
CID 3323531
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-enylimidazole
CID 3843457
ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenylimidazol-1-yl]acetate
CID 4265892
2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole
CID 4311842
3-benzylsulfanyl-5-phenyl-4-propyl-1,2,4-triazole
CID 126096377
3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-4-propyl-1,2,4-triazole
CID 126101832
3-chloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-2,2-dimethylpropanamide
CID 3556679
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-pentylbenzamide
CID 4534418
3-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-4-propyl-1,2,4-triazole
CID 126093238
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
3-[(4-fluorophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 6406872

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole (CID 3798862) is 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole is CCCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole?
The InChIKey is YLQCSJJTCFYROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2S/c1-2-17-28-24(21-11-7-4-8-12-21)23(20-9-5-3-6-10-20)27-25(28)29-18-19-13-15-22(26)16-14-19/h3-16H,2,17-18H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole?
2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole has a molecular weight of 402.54 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole is sourced from PubChem (CID 3798862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).