1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine

C30H30N2O — CID 563624

IUPAC1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine
SMILESc1ccc(COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)cc1
InChIInChI=1S/C30H30N2O/c1-4-11-25(12-5-1)22-31-19-20-32(23-26-13-6-2-7-14-26)30(31)28-17-10-18-29(21-28)33-24-27-15-8-3-9-16-27/h1-18,21,30H,19-20,22-24H2
InChIKeyLZTISNFRXHXPBF-UHFFFAOYSA-N
MW434.58 g/mol
LogP6.28
Rot. Bonds8

About 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine

1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine (PubChem CID 563624) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine
PubChem CID563624
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine
SMILESc1ccc(COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)cc1
InChIInChI=1S/C30H30N2O/c1-4-11-25(12-5-1)22-31-19-20-32(23-26-13-6-2-7-14-26)30(31)28-17-10-18-29(21-28)33-24-27-15-8-3-9-16-27/h1-18,21,30H,19-20,22-24H2
InChIKeyLZTISNFRXHXPBF-UHFFFAOYSA-N
XLogP6.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.28
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-(3-phenylmethoxyphenyl)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine (CID 563624) is 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine is c1ccc(COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)cc1.
What is the InChIKey of 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine?
The InChIKey is LZTISNFRXHXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-4-11-25(12-5-1)22-31-19-20-32(23-26-13-6-2-7-14-26)30(31)28-17-10-18-29(21-28)33-24-27-15-8-3-9-16-27/h1-18,21,30H,19-20,22-24H2.
What are the key properties of 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine?
1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine has a molecular weight of 434.58 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(3-phenylmethoxyphenyl)imidazolidine is sourced from PubChem (CID 563624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).