1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine

C31H32N2O2 — CID 5003110

IUPAC1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine
SMILESCOc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C31H32N2O2/c1-34-30-21-28(17-18-29(30)35-24-27-15-9-4-10-16-27)31-32(22-25-11-5-2-6-12-25)19-20-33(31)23-26-13-7-3-8-14-26/h2-18,21,31H,19-20,22-24H2,1H3
InChIKeyYEFWOMXEAPTURA-UHFFFAOYSA-N
MW464.61 g/mol
LogP6.29
Rot. Bonds9

About 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine

1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine (PubChem CID 5003110) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine
PubChem CID5003110
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC Name1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine
SMILESCOc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C31H32N2O2/c1-34-30-21-28(17-18-29(30)35-24-27-15-9-4-10-16-27)31-32(22-25-11-5-2-6-12-25)19-20-33(31)23-26-13-7-3-8-14-26/h2-18,21,31H,19-20,22-24H2,1H3
InChIKeyYEFWOMXEAPTURA-UHFFFAOYSA-N
XLogP6.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine (CID 5003110) is 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine is COc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine?
The InChIKey is YEFWOMXEAPTURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-34-30-21-28(17-18-29(30)35-24-27-15-9-4-10-16-27)31-32(22-25-11-5-2-6-12-25)19-20-33(31)23-26-13-7-3-8-14-26/h2-18,21,31H,19-20,22-24H2,1H3.
What are the key properties of 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine?
1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine has a molecular weight of 464.61 g/mol, XLogP of 6.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(3-methoxy-4-phenylmethoxyphenyl)imidazolidine is sourced from PubChem (CID 5003110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).