1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine

C26H25FN4 — CID 10873343

IUPAC1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H25FN4/c27-24-13-7-8-14-25(24)30-17-15-29(16-18-30)19-22-20-31(23-11-5-2-6-12-23)26(28-22)21-9-3-1-4-10-21/h1-14,20H,15-19H2
InChIKeyNKRWGVAMPNUXFY-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.00
Rot. Bonds5

About 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine

1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 10873343) has the molecular formula C26H25FN4 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine
PubChem CID10873343
Molecular FormulaC26H25FN4
Molecular Weight412.51 g/mol
Exact Mass412.21
IUPAC Name1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H25FN4/c27-24-13-7-8-14-25(24)30-17-15-29(16-18-30)19-22-20-31(23-11-5-2-6-12-23)26(28-22)21-9-3-1-4-10-21/h1-14,20H,15-19H2
InChIKeyNKRWGVAMPNUXFY-UHFFFAOYSA-N
XLogP5.00
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine (CID 10873343) is 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is NKRWGVAMPNUXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4/c27-24-13-7-8-14-25(24)30-17-15-29(16-18-30)19-22-20-31(23-11-5-2-6-12-23)26(28-22)21-9-3-1-4-10-21/h1-14,20H,15-19H2.
What are the key properties of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 412.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 10873343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).