1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine

C25H28N2O2 — CID 986237

IUPAC1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H28N2O2/c1-28-23-12-8-20(9-13-23)18-26-16-17-27(25(26)22-6-4-3-5-7-22)19-21-10-14-24(29-2)15-11-21/h3-15,25H,16-19H2,1-2H3
InChIKeyKGNRZOAEBGORNQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.72
Rot. Bonds7

About 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine

1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine (PubChem CID 986237) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine.

Molecular Properties

Compound Name1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine
PubChem CID986237
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine
SMILESCOc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H28N2O2/c1-28-23-12-8-20(9-13-23)18-26-16-17-27(25(26)22-6-4-3-5-7-22)19-21-10-14-24(29-2)15-11-21/h3-15,25H,16-19H2,1-2H3
InChIKeyKGNRZOAEBGORNQ-UHFFFAOYSA-N
XLogP4.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine?
The IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine (CID 986237) is 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine.
What is the SMILES notation for 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine?
The canonical SMILES for 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine is COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2ccccc2)cc1.
What is the InChIKey of 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine?
The InChIKey is KGNRZOAEBGORNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-28-23-12-8-20(9-13-23)18-26-16-17-27(25(26)22-6-4-3-5-7-22)19-21-10-14-24(29-2)15-11-21/h3-15,25H,16-19H2,1-2H3.
What are the key properties of 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine?
1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine has a molecular weight of 388.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine is sourced from PubChem (CID 986237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).