4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole

C25H24N2O — CID 59099595

IUPAC4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole
SMILESc1ccc(-c2ccc(COCCCc3[nH]cnc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O/c1-3-8-21(9-4-1)22-15-13-20(14-16-22)18-28-17-7-12-24-25(27-19-26-24)23-10-5-2-6-11-23/h1-6,8-11,13-16,19H,7,12,17-18H2,(H,26,27)
InChIKeyPKWPJWWKEVCNSZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.89
Rot. Bonds8

About 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole

4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole (PubChem CID 59099595) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole
PubChem CID59099595
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole
SMILESc1ccc(-c2ccc(COCCCc3[nH]cnc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O/c1-3-8-21(9-4-1)22-15-13-20(14-16-22)18-28-17-7-12-24-25(27-19-26-24)23-10-5-2-6-11-23/h1-6,8-11,13-16,19H,7,12,17-18H2,(H,26,27)
InChIKeyPKWPJWWKEVCNSZ-UHFFFAOYSA-N
XLogP5.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole?
The IUPAC name of 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole (CID 59099595) is 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole.
What is the SMILES notation for 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole?
The canonical SMILES for 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole is c1ccc(-c2ccc(COCCCc3[nH]cnc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole?
The InChIKey is PKWPJWWKEVCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-3-8-21(9-4-1)22-15-13-20(14-16-22)18-28-17-7-12-24-25(27-19-26-24)23-10-5-2-6-11-23/h1-6,8-11,13-16,19H,7,12,17-18H2,(H,26,27).
What are the key properties of 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole?
4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole has a molecular weight of 368.48 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[3-[(4-phenylphenyl)methoxy]propyl]-1H-imidazole is sourced from PubChem (CID 59099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).