1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine

C49H52N2O2 — CID 175206372

IUPAC1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine
SMILESCOc1cc(C(C)c2ccccc2)c(N2CCN(c3c(C(C)c4ccccc4)cc(OC)cc3C(C)c3ccccc3)C2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C49H52N2O2/c1-34(38-19-11-7-12-20-38)44-29-42(52-5)30-45(35(2)39-21-13-8-14-22-39)48(44)50-27-28-51(33-50)49-46(36(3)40-23-15-9-16-24-40)31-43(53-6)32-47(49)37(4)41-25-17-10-18-26-41/h7-26,29-32,34-37H,27-28,33H2,1-6H3
InChIKeyUDYNXEJAQPOEEF-UHFFFAOYSA-N
MW700.97 g/mol
LogP11.60
Rot. Bonds12

About 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine

1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine (PubChem CID 175206372) has the molecular formula C49H52N2O2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine
PubChem CID175206372
Molecular FormulaC49H52N2O2
Molecular Weight700.97 g/mol
Exact Mass700.40
IUPAC Name1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine
SMILESCOc1cc(C(C)c2ccccc2)c(N2CCN(c3c(C(C)c4ccccc4)cc(OC)cc3C(C)c3ccccc3)C2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C49H52N2O2/c1-34(38-19-11-7-12-20-38)44-29-42(52-5)30-45(35(2)39-21-13-8-14-22-39)48(44)50-27-28-51(33-50)49-46(36(3)40-23-15-9-16-24-40)31-43(53-6)32-47(49)37(4)41-25-17-10-18-26-41/h7-26,29-32,34-37H,27-28,33H2,1-6H3
InChIKeyUDYNXEJAQPOEEF-UHFFFAOYSA-N
XLogP11.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]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-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine?
The IUPAC name of 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine (CID 175206372) is 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine.
What is the SMILES notation for 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine?
The canonical SMILES for 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine is COc1cc(C(C)c2ccccc2)c(N2CCN(c3c(C(C)c4ccccc4)cc(OC)cc3C(C)c3ccccc3)C2)c(C(C)c2ccccc2)c1.
What is the InChIKey of 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine?
The InChIKey is UDYNXEJAQPOEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H52N2O2/c1-34(38-19-11-7-12-20-38)44-29-42(52-5)30-45(35(2)39-21-13-8-14-22-39)48(44)50-27-28-51(33-50)49-46(36(3)40-23-15-9-16-24-40)31-43(53-6)32-47(49)37(4)41-25-17-10-18-26-41/h7-26,29-32,34-37H,27-28,33H2,1-6H3.
What are the key properties of 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine?
1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine has a molecular weight of 700.97 g/mol, XLogP of 11.60, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine is sourced from PubChem (CID 175206372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).