1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine

C18H23Cl2FN4 — CID 15788939

IUPAC1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine
SMILESCc1nc(Cl)c(Cl)n1CCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H23Cl2FN4/c1-14-22-17(19)18(20)25(14)9-5-4-8-23-10-12-24(13-11-23)16-7-3-2-6-15(16)21/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyAVLUAAQJHPHOJT-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.24
Rot. Bonds6

About 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine

1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine (PubChem CID 15788939) has the molecular formula C18H23Cl2FN4 and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine
PubChem CID15788939
Molecular FormulaC18H23Cl2FN4
Molecular Weight385.31 g/mol
Exact Mass384.13
IUPAC Name1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine
SMILESCc1nc(Cl)c(Cl)n1CCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H23Cl2FN4/c1-14-22-17(19)18(20)25(14)9-5-4-8-23-10-12-24(13-11-23)16-7-3-2-6-15(16)21/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyAVLUAAQJHPHOJT-UHFFFAOYSA-N
XLogP4.24
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine (CID 15788939) is 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine is Cc1nc(Cl)c(Cl)n1CCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is AVLUAAQJHPHOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2FN4/c1-14-22-17(19)18(20)25(14)9-5-4-8-23-10-12-24(13-11-23)16-7-3-2-6-15(16)21/h2-3,6-7H,4-5,8-13H2,1H3.
What are the key properties of 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine?
1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 385.31 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 15788939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).