1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine

C18H25FN4O2S — CID 90561951

IUPAC1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4O2S/c1-2-18-20-7-8-22(18)12-9-21-10-13-23(14-11-21)26(24,25)15-16-3-5-17(19)6-4-16/h3-8H,2,9-15H2,1H3
InChIKeyUZEFXNBQNZPKMM-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.73
Rot. Bonds7

About 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine

1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine (PubChem CID 90561951) has the molecular formula C18H25FN4O2S and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
PubChem CID90561951
Molecular FormulaC18H25FN4O2S
Molecular Weight380.49 g/mol
Exact Mass380.17
IUPAC Name1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4O2S/c1-2-18-20-7-8-22(18)12-9-21-10-13-23(14-11-21)26(24,25)15-16-3-5-17(19)6-4-16/h3-8H,2,9-15H2,1H3
InChIKeyUZEFXNBQNZPKMM-UHFFFAOYSA-N
XLogP1.73
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The IUPAC name of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine (CID 90561951) is 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine.
What is the SMILES notation for 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The canonical SMILES for 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine is CCc1nccn1CCN1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The InChIKey is UZEFXNBQNZPKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2S/c1-2-18-20-7-8-22(18)12-9-21-10-13-23(14-11-21)26(24,25)15-16-3-5-17(19)6-4-16/h3-8H,2,9-15H2,1H3.
What are the key properties of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine has a molecular weight of 380.49 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine is sourced from PubChem (CID 90561951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).