1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium

C26H32N2+2 — CID 7218918

IUPAC1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium
SMILESCC(C)c1ccc(C2[NH+](Cc3ccccc3)CC[NH+]2Cc2ccccc2)cc1
InChIInChI=1S/C26H30N2/c1-21(2)24-13-15-25(16-14-24)26-27(19-22-9-5-3-6-10-22)17-18-28(26)20-23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3/p+2
InChIKeyYRDCDWLKOVAXHO-UHFFFAOYSA-P
MW372.56 g/mol
LogP2.99
Rot. Bonds6

About 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium

1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium (PubChem CID 7218918) has the molecular formula C26H32N2+2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium.

Molecular Properties

Compound Name1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium
PubChem CID7218918
Molecular FormulaC26H32N2+2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium
SMILESCC(C)c1ccc(C2[NH+](Cc3ccccc3)CC[NH+]2Cc2ccccc2)cc1
InChIInChI=1S/C26H30N2/c1-21(2)24-13-15-25(16-14-24)26-27(19-22-9-5-3-6-10-22)17-18-28(26)20-23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3/p+2
InChIKeyYRDCDWLKOVAXHO-UHFFFAOYSA-P
XLogP2.99
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium?
The IUPAC name of 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium (CID 7218918) is 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium.
What is the SMILES notation for 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium?
The canonical SMILES for 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium is CC(C)c1ccc(C2[NH+](Cc3ccccc3)CC[NH+]2Cc2ccccc2)cc1.
What is the InChIKey of 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium?
The InChIKey is YRDCDWLKOVAXHO-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H30N2/c1-21(2)24-13-15-25(16-14-24)26-27(19-22-9-5-3-6-10-22)17-18-28(26)20-23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3/p+2.
What are the key properties of 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium?
1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium has a molecular weight of 372.56 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(4-propan-2-ylphenyl)imidazolidine-1,3-diium is sourced from PubChem (CID 7218918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).