1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine

C28H28N2O — CID 1050388

IUPAC1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine
SMILESCOc1ccc2ccccc2c1C1N(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C28H28N2O/c1-31-26-17-16-24-14-8-9-15-25(24)27(26)28-29(20-22-10-4-2-5-11-22)18-19-30(28)21-23-12-6-3-7-13-23/h2-17,28H,18-21H2,1H3
InChIKeyJIFOLPIDEQIYLN-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.86
Rot. Bonds6

About 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine

1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine (PubChem CID 1050388) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine
PubChem CID1050388
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine
SMILESCOc1ccc2ccccc2c1C1N(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C28H28N2O/c1-31-26-17-16-24-14-8-9-15-25(24)27(26)28-29(20-22-10-4-2-5-11-22)18-19-30(28)21-23-12-6-3-7-13-23/h2-17,28H,18-21H2,1H3
InChIKeyJIFOLPIDEQIYLN-UHFFFAOYSA-N
XLogP5.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine (CID 1050388) is 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine is COc1ccc2ccccc2c1C1N(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine?
The InChIKey is JIFOLPIDEQIYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-31-26-17-16-24-14-8-9-15-25(24)27(26)28-29(20-22-10-4-2-5-11-22)18-19-30(28)21-23-12-6-3-7-13-23/h2-17,28H,18-21H2,1H3.
What are the key properties of 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine?
1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine has a molecular weight of 408.55 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine is sourced from PubChem (CID 1050388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).