3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole

C20H24FN5S — CID 175639527

IUPAC3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole
SMILESFc1ccc(Cc2nnc(SC3CCCC3)n2CCCc2cnc[nH]2)cc1
InChIInChI=1S/C20H24FN5S/c21-16-9-7-15(8-10-16)12-19-24-25-20(27-18-5-1-2-6-18)26(19)11-3-4-17-13-22-14-23-17/h7-10,13-14,18H,1-6,11-12H2,(H,22,23)
InChIKeyPPYQFNZXNKPRNJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.40
Rot. Bonds8

About 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole

3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole (PubChem CID 175639527) has the molecular formula C20H24FN5S and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole
PubChem CID175639527
Molecular FormulaC20H24FN5S
Molecular Weight385.51 g/mol
Exact Mass385.17
IUPAC Name3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole
SMILESFc1ccc(Cc2nnc(SC3CCCC3)n2CCCc2cnc[nH]2)cc1
InChIInChI=1S/C20H24FN5S/c21-16-9-7-15(8-10-16)12-19-24-25-20(27-18-5-1-2-6-18)26(19)11-3-4-17-13-22-14-23-17/h7-10,13-14,18H,1-6,11-12H2,(H,22,23)
InChIKeyPPYQFNZXNKPRNJ-UHFFFAOYSA-N
XLogP4.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole?
The IUPAC name of 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole (CID 175639527) is 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole is Fc1ccc(Cc2nnc(SC3CCCC3)n2CCCc2cnc[nH]2)cc1.
What is the InChIKey of 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole?
The InChIKey is PPYQFNZXNKPRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5S/c21-16-9-7-15(8-10-16)12-19-24-25-20(27-18-5-1-2-6-18)26(19)11-3-4-17-13-22-14-23-17/h7-10,13-14,18H,1-6,11-12H2,(H,22,23).
What are the key properties of 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole?
3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole has a molecular weight of 385.51 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 175639527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).