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

C26H29FN2O2 — CID 92569271

IUPAC(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
SMILESCCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C26H29FN2O2/c1-3-31-24-13-9-22(10-14-24)26-28(18-20-7-11-23(27)12-8-20)15-16-29(26)19-21-5-4-6-25(17-21)30-2/h4-14,17,26H,3,15-16,18-19H2,1-2H3/t26-/m1/s1
InChIKeyJPCBMVAZAJMQLX-AREMUKBSSA-N
MW420.53 g/mol
LogP5.25
Rot. Bonds8

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

(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine (PubChem CID 92569271) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
PubChem CID92569271
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Name(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
SMILESCCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C26H29FN2O2/c1-3-31-24-13-9-22(10-14-24)26-28(18-20-7-11-23(27)12-8-20)15-16-29(26)19-21-5-4-6-25(17-21)30-2/h4-14,17,26H,3,15-16,18-19H2,1-2H3/t26-/m1/s1
InChIKeyJPCBMVAZAJMQLX-AREMUKBSSA-N
XLogP5.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine with MolForge

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Related Compounds

(2S)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569268
(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine
CID 92569263
1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine
CID 23653722
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
1-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane
CID 15994936
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
CID 101217629
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
CID 92569496
2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
CID 20857150
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine?
The IUPAC name of (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine (CID 92569271) is (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine.
What is the SMILES notation for (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine?
The canonical SMILES for (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine is CCOc1ccc([C@@H]2N(Cc3ccc(F)cc3)CCN2Cc2cccc(OC)c2)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine?
The InChIKey is JPCBMVAZAJMQLX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29FN2O2/c1-3-31-24-13-9-22(10-14-24)26-28(18-20-7-11-23(27)12-8-20)15-16-29(26)19-21-5-4-6-25(17-21)30-2/h4-14,17,26H,3,15-16,18-19H2,1-2H3/t26-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine?
(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine has a molecular weight of 420.53 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine is sourced from PubChem (CID 92569271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).