2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

C19H23ClN2O3 — CID 70302000

IUPAC2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOCCOc1ccc(-c2ccc(OC)cc2)cc1C1=NCCN1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-22-11-12-24-18-8-5-15(13-17(18)19-20-9-10-21-19)14-3-6-16(23-2)7-4-14;/h3-8,13H,9-12H2,1-2H3,(H,20,21);1H
InChIKeyXGUILNRNDMYALX-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.16
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 70302000) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID70302000
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOCCOc1ccc(-c2ccc(OC)cc2)cc1C1=NCCN1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-22-11-12-24-18-8-5-15(13-17(18)19-20-9-10-21-19)14-3-6-16(23-2)7-4-14;/h3-8,13H,9-12H2,1-2H3,(H,20,21);1H
InChIKeyXGUILNRNDMYALX-UHFFFAOYSA-N
XLogP3.16
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 70302000) is 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is COCCOc1ccc(-c2ccc(OC)cc2)cc1C1=NCCN1.Cl.
What is the InChIKey of 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is XGUILNRNDMYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c1-22-11-12-24-18-8-5-15(13-17(18)19-20-9-10-21-19)14-3-6-16(23-2)7-4-14;/h3-8,13H,9-12H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)-5-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 70302000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).