1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine

C21H26N4 — CID 10735467

IUPAC1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C(C3=NCCN3)C2)cc1
InChIInChI=1S/C21H26N4/c1-3-7-18(8-4-1)15-24-13-14-25(16-19-9-5-2-6-10-19)20(17-24)21-22-11-12-23-21/h1-10,20H,11-17H2,(H,22,23)
InChIKeyLWONSXGMCCEMHH-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.37
Rot. Bonds5

About 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine

1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (PubChem CID 10735467) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
PubChem CID10735467
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C(C3=NCCN3)C2)cc1
InChIInChI=1S/C21H26N4/c1-3-7-18(8-4-1)15-24-13-14-25(16-19-9-5-2-6-10-19)20(17-24)21-22-11-12-23-21/h1-10,20H,11-17H2,(H,22,23)
InChIKeyLWONSXGMCCEMHH-UHFFFAOYSA-N
XLogP2.37
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (CID 10735467) is 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is c1ccc(CN2CCN(Cc3ccccc3)C(C3=NCCN3)C2)cc1.
What is the InChIKey of 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The InChIKey is LWONSXGMCCEMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-3-7-18(8-4-1)15-24-13-14-25(16-19-9-5-2-6-10-19)20(17-24)21-22-11-12-23-21/h1-10,20H,11-17H2,(H,22,23).
What are the key properties of 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine has a molecular weight of 334.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 10735467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).