1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine

C21H28N2O2 — CID 155801878

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine
SMILESCCOc1ccccc1OCCN1CCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C21H28N2O2/c1-3-24-20-6-4-5-7-21(20)25-15-14-22-12-13-23(17-22)16-19-10-8-18(2)9-11-19/h4-11H,3,12-17H2,1-2H3
InChIKeyTXYDNJQJHQKDDL-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.55
Rot. Bonds8

About 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine

1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine (PubChem CID 155801878) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine
PubChem CID155801878
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine
SMILESCCOc1ccccc1OCCN1CCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C21H28N2O2/c1-3-24-20-6-4-5-7-21(20)25-15-14-22-12-13-23(17-22)16-19-10-8-18(2)9-11-19/h4-11H,3,12-17H2,1-2H3
InChIKeyTXYDNJQJHQKDDL-UHFFFAOYSA-N
XLogP3.55
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine (CID 155801878) is 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine is CCOc1ccccc1OCCN1CCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine?
The InChIKey is TXYDNJQJHQKDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-24-20-6-4-5-7-21(20)25-15-14-22-12-13-23(17-22)16-19-10-8-18(2)9-11-19/h4-11H,3,12-17H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine?
1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine has a molecular weight of 340.47 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethyl]-3-[(4-methylphenyl)methyl]imidazolidine is sourced from PubChem (CID 155801878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).