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

C33H32N2O3 — CID 10229029

IUPAC1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
SMILESCOc1cc(COCCCn2cnc(-c3ccccc3)c2-c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H32N2O3/c1-36-31-22-27(18-19-30(31)38-24-26-12-5-2-6-13-26)23-37-21-11-20-35-25-34-32(28-14-7-3-8-15-28)33(35)29-16-9-4-10-17-29/h2-10,12-19,22,25H,11,20-21,23-24H2,1H3
InChIKeyPOHBJDFNCMINCD-UHFFFAOYSA-N
MW504.63 g/mol
LogP7.41
Rot. Bonds12

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

1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole (PubChem CID 10229029) has the molecular formula C33H32N2O3 and a molecular weight of 504.63 g/mol. Its IUPAC name is 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
PubChem CID10229029
Molecular FormulaC33H32N2O3
Molecular Weight504.63 g/mol
Exact Mass504.24
IUPAC Name1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
SMILESCOc1cc(COCCCn2cnc(-c3ccccc3)c2-c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H32N2O3/c1-36-31-22-27(18-19-30(31)38-24-26-12-5-2-6-13-26)23-37-21-11-20-35-25-34-32(28-14-7-3-8-15-28)33(35)29-16-9-4-10-17-29/h2-10,12-19,22,25H,11,20-21,23-24H2,1H3
InChIKeyPOHBJDFNCMINCD-UHFFFAOYSA-N
XLogP7.41
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 57.41
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-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
The IUPAC name of 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole (CID 10229029) is 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole is COc1cc(COCCCn2cnc(-c3ccccc3)c2-c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
The InChIKey is POHBJDFNCMINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O3/c1-36-31-22-27(18-19-30(31)38-24-26-12-5-2-6-13-26)23-37-21-11-20-35-25-34-32(28-14-7-3-8-15-28)33(35)29-16-9-4-10-17-29/h2-10,12-19,22,25H,11,20-21,23-24H2,1H3.
What are the key properties of 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole?
1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole has a molecular weight of 504.63 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole is sourced from PubChem (CID 10229029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).