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

C26H29FN2OS — CID 23653722

IUPAC1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine
SMILESCCOc1ccc(CN2CCN(Cc3ccc(F)cc3)C2c2ccc(SC)cc2)cc1
InChIInChI=1S/C26H29FN2OS/c1-3-30-24-12-6-21(7-13-24)19-29-17-16-28(18-20-4-10-23(27)11-5-20)26(29)22-8-14-25(31-2)15-9-22/h4-15,26H,3,16-19H2,1-2H3
InChIKeyPFONGHFTCKSPMZ-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.96
Rot. Bonds8

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

1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine (PubChem CID 23653722) has the molecular formula C26H29FN2OS and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine
PubChem CID23653722
Molecular FormulaC26H29FN2OS
Molecular Weight436.60 g/mol
Exact Mass436.20
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine
SMILESCCOc1ccc(CN2CCN(Cc3ccc(F)cc3)C2c2ccc(SC)cc2)cc1
InChIInChI=1S/C26H29FN2OS/c1-3-30-24-12-6-21(7-13-24)19-29-17-16-28(18-20-4-10-23(27)11-5-20)26(29)22-8-14-25(31-2)15-9-22/h4-15,26H,3,16-19H2,1-2H3
InChIKeyPFONGHFTCKSPMZ-UHFFFAOYSA-N
XLogP5.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazolidine
CID 92569263
(2R)-2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569271
(2S)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569268
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
(2R)-2-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]imidazolidine
CID 92569286
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 131949920
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine (CID 23653722) is 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine is CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)C2c2ccc(SC)cc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine?
The InChIKey is PFONGHFTCKSPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2OS/c1-3-30-24-12-6-21(7-13-24)19-29-17-16-28(18-20-4-10-23(27)11-5-20)26(29)22-8-14-25(31-2)15-9-22/h4-15,26H,3,16-19H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine?
1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine has a molecular weight of 436.60 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)imidazolidine is sourced from PubChem (CID 23653722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).