1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole

C23H28N2O2 — CID 10133391

IUPAC1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
SMILESCCOCCCOCCCn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-26-17-10-18-27-16-9-15-25-19-24-22(20-11-5-3-6-12-20)23(25)21-13-7-4-8-14-21/h3-8,11-14,19H,2,9-10,15-18H2,1H3
InChIKeyRWXLCXLNWDPRNS-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.05
Rot. Bonds11

About 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole

1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole (PubChem CID 10133391) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
PubChem CID10133391
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
SMILESCCOCCCOCCCn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-26-17-10-18-27-16-9-15-25-19-24-22(20-11-5-3-6-12-20)23(25)21-13-7-4-8-14-21/h3-8,11-14,19H,2,9-10,15-18H2,1H3
InChIKeyRWXLCXLNWDPRNS-UHFFFAOYSA-N
XLogP5.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole?
The IUPAC name of 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole (CID 10133391) is 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole is CCOCCCOCCCn1cnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole?
The InChIKey is RWXLCXLNWDPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-26-17-10-18-27-16-9-15-25-19-24-22(20-11-5-3-6-12-20)23(25)21-13-7-4-8-14-21/h3-8,11-14,19H,2,9-10,15-18H2,1H3.
What are the key properties of 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole?
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole has a molecular weight of 364.49 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole is sourced from PubChem (CID 10133391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).