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

C22H28N4 — CID 10569756

IUPAC1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C(CC3=NCCN3)C2)cc1
InChIInChI=1S/C22H28N4/c1-3-7-19(8-4-1)16-25-13-14-26(17-20-9-5-2-6-10-20)21(18-25)15-22-23-11-12-24-22/h1-10,21H,11-18H2,(H,23,24)
InChIKeyXYMXSDCXPSZFSJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.76
Rot. Bonds6

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

1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine (PubChem CID 10569756) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine
PubChem CID10569756
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C(CC3=NCCN3)C2)cc1
InChIInChI=1S/C22H28N4/c1-3-7-19(8-4-1)16-25-13-14-26(17-20-9-5-2-6-10-20)21(18-25)15-22-23-11-12-24-22/h1-10,21H,11-18H2,(H,23,24)
InChIKeyXYMXSDCXPSZFSJ-UHFFFAOYSA-N
XLogP2.76
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.76
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-ylmethyl)piperazine?
The IUPAC name of 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine (CID 10569756) is 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine.
What is the SMILES notation for 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine?
The canonical SMILES for 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine is c1ccc(CN2CCN(Cc3ccccc3)C(CC3=NCCN3)C2)cc1.
What is the InChIKey of 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine?
The InChIKey is XYMXSDCXPSZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-3-7-19(8-4-1)16-25-13-14-26(17-20-9-5-2-6-10-20)21(18-25)15-22-23-11-12-24-22/h1-10,21H,11-18H2,(H,23,24).
What are the key properties of 1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine?
1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine has a molecular weight of 348.49 g/mol, XLogP of 2.76, 6 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-ylmethyl)piperazine is sourced from PubChem (CID 10569756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).