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

C26H29FN2O — CID 92569286

IUPAC(2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCCOc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)cc1
InChIInChI=1S/C26H29FN2O/c1-3-30-24-14-12-21(13-15-24)26-28(18-22-9-5-4-8-20(22)2)16-17-29(26)19-23-10-6-7-11-25(23)27/h4-15,26H,3,16-19H2,1-2H3/t26-/m1/s1
InChIKeyABGKDEGOOLHVQP-AREMUKBSSA-N
MW404.53 g/mol
LogP5.55
Rot. Bonds7

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

(2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine (PubChem CID 92569286) has the molecular formula C26H29FN2O and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
PubChem CID92569286
Molecular FormulaC26H29FN2O
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC Name(2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
SMILESCCOc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)cc1
InChIInChI=1S/C26H29FN2O/c1-3-30-24-14-12-21(13-15-24)26-28(18-22-9-5-4-8-20(22)2)16-17-29(26)19-23-10-6-7-11-25(23)27/h4-15,26H,3,16-19H2,1-2H3/t26-/m1/s1
InChIKeyABGKDEGOOLHVQP-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

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Related Compounds

(2R)-2-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
CID 92569454
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]imidazolidine
CID 92569166
1-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-methylphenyl)methyl]imidazolidine
CID 3659276
(2S)-2-(4-butoxy-3-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]imidazolidine
CID 92569447
(2R)-1-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-[(3-methylphenyl)methyl]imidazolidine
CID 92569255
(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine
CID 92569263
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine
CID 23653722
2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol
CID 3752703
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane
CID 92569323
(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569271
7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
The IUPAC name of (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine (CID 92569286) is (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine.
What is the SMILES notation for (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
The canonical SMILES for (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine is CCOc1ccc([C@@H]2N(Cc3ccccc3C)CCN2Cc2ccccc2F)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
The InChIKey is ABGKDEGOOLHVQP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29FN2O/c1-3-30-24-14-12-21(13-15-24)26-28(18-22-9-5-4-8-20(22)2)16-17-29(26)19-23-10-6-7-11-25(23)27/h4-15,26H,3,16-19H2,1-2H3/t26-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine?
(2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-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)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine is sourced from PubChem (CID 92569286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).