(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine

C26H29FN2O — CID 92569263

IUPAC(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine
SMILESCCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O/c1-3-30-25-13-7-21(8-14-25)18-28-15-16-29(19-22-6-4-5-20(2)17-22)26(28)23-9-11-24(27)12-10-23/h4-14,17,26H,3,15-16,18-19H2,1-2H3/t26-/m1/s1
InChIKeyDCCPLEJPMKHTTA-AREMUKBSSA-N
MW404.53 g/mol
LogP5.55
Rot. Bonds7

About (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine

(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine (PubChem CID 92569263) has the molecular formula C26H29FN2O and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine
PubChem CID92569263
Molecular FormulaC26H29FN2O
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC Name(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine
SMILESCCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O/c1-3-30-25-13-7-21(8-14-25)18-28-15-16-29(19-22-6-4-5-20(2)17-22)26(28)23-9-11-24(27)12-10-23/h4-14,17,26H,3,15-16,18-19H2,1-2H3/t26-/m1/s1
InChIKeyDCCPLEJPMKHTTA-AREMUKBSSA-N
XLogP5.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]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 (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine?
The IUPAC name of (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine (CID 92569263) is (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine.
What is the SMILES notation for (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine?
The canonical SMILES for (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine is CCOc1ccc(CN2CCN(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine?
The InChIKey is DCCPLEJPMKHTTA-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29FN2O/c1-3-30-25-13-7-21(8-14-25)18-28-15-16-29(19-22-6-4-5-20(2)17-22)26(28)23-9-11-24(27)12-10-23/h4-14,17,26H,3,15-16,18-19H2,1-2H3/t26-/m1/s1.
What are the key properties of (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine?
(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine has a molecular weight of 404.53 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine is sourced from PubChem (CID 92569263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).