1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride

C22H27ClN2O3 — CID 11957693

IUPAC1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride
SMILESCOc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-25-20-8-5-18(6-9-20)4-3-15-27-22-16-19(7-10-21(22)26-2)11-13-24-14-12-23-17-24;/h5-10,12,14,16-17H,3-4,11,13,15H2,1-2H3;1H
InChIKeyKBPZBOSJIZEELA-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.58
Rot. Bonds10

About 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride

1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride (PubChem CID 11957693) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride
PubChem CID11957693
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride
SMILESCOc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-25-20-8-5-18(6-9-20)4-3-15-27-22-16-19(7-10-21(22)26-2)11-13-24-14-12-23-17-24;/h5-10,12,14,16-17H,3-4,11,13,15H2,1-2H3;1H
InChIKeyKBPZBOSJIZEELA-UHFFFAOYSA-N
XLogP4.58
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
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 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride (CID 11957693) is 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride is COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1.Cl.
What is the InChIKey of 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride?
The InChIKey is KBPZBOSJIZEELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3.ClH/c1-25-20-8-5-18(6-9-20)4-3-15-27-22-16-19(7-10-21(22)26-2)11-13-24-14-12-23-17-24;/h5-10,12,14,16-17H,3-4,11,13,15H2,1-2H3;1H.
What are the key properties of 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride?
1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole;hydrochloride is sourced from PubChem (CID 11957693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).