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

C26H26N2O2 — CID 10179002

IUPAC1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
SMILESCOc1cccc(COCCCn2cnc(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C26H26N2O2/c1-29-24-15-8-10-21(18-24)19-30-17-9-16-28-20-27-25(22-11-4-2-5-12-22)26(28)23-13-6-3-7-14-23/h2-8,10-15,18,20H,9,16-17,19H2,1H3
InChIKeyZKYJQUAWJQYZKI-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.83
Rot. Bonds9

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

1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole (PubChem CID 10179002) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
PubChem CID10179002
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
SMILESCOc1cccc(COCCCn2cnc(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C26H26N2O2/c1-29-24-15-8-10-21(18-24)19-30-17-9-16-28-20-27-25(22-11-4-2-5-12-22)26(28)23-13-6-3-7-14-23/h2-8,10-15,18,20H,9,16-17,19H2,1H3
InChIKeyZKYJQUAWJQYZKI-UHFFFAOYSA-N
XLogP5.83
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.83
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-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
The IUPAC name of 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole (CID 10179002) is 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole is COc1cccc(COCCCn2cnc(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
The InChIKey is ZKYJQUAWJQYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-29-24-15-8-10-21(18-24)19-30-17-9-16-28-20-27-25(22-11-4-2-5-12-22)26(28)23-13-6-3-7-14-23/h2-8,10-15,18,20H,9,16-17,19H2,1H3.
What are the key properties of 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole has a molecular weight of 398.51 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole is sourced from PubChem (CID 10179002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).