2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol

C24H26N2O2 — CID 1127150

IUPAC2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1O
InChIInChI=1S/C24H26N2O2/c1-28-22-14-8-13-21(23(22)27)24-25(17-19-9-4-2-5-10-19)15-16-26(24)18-20-11-6-3-7-12-20/h2-14,24,27H,15-18H2,1H3
InChIKeyBRMUEVJUZYWWMG-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.42
Rot. Bonds6

About 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol

2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol (PubChem CID 1127150) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol
PubChem CID1127150
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1O
InChIInChI=1S/C24H26N2O2/c1-28-22-14-8-13-21(23(22)27)24-25(17-19-9-4-2-5-10-19)15-16-26(24)18-20-11-6-3-7-12-20/h2-14,24,27H,15-18H2,1H3
InChIKeyBRMUEVJUZYWWMG-UHFFFAOYSA-N
XLogP4.42
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol?
The IUPAC name of 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol (CID 1127150) is 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol is COc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1O.
What is the InChIKey of 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol?
The InChIKey is BRMUEVJUZYWWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-22-14-8-13-21(23(22)27)24-25(17-19-9-4-2-5-10-19)15-16-26(24)18-20-11-6-3-7-12-20/h2-14,24,27H,15-18H2,1H3.
What are the key properties of 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol?
2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol has a molecular weight of 374.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dibenzylimidazolidin-2-yl)-6-methoxyphenol is sourced from PubChem (CID 1127150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).