1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol

C28H29FN2O2 — CID 19916904

IUPAC1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol
SMILESCOc1cccc(CCCCC(O)(c2ccc(F)cc2)c2cncn2Cc2ccccc2)c1
InChIInChI=1S/C28H29FN2O2/c1-33-26-12-7-11-22(18-26)8-5-6-17-28(32,24-13-15-25(29)16-14-24)27-19-30-21-31(27)20-23-9-3-2-4-10-23/h2-4,7,9-16,18-19,21,32H,5-6,8,17,20H2,1H3
InChIKeyQFEFYEWVCASIQX-UHFFFAOYSA-N
MW444.55 g/mol
LogP5.73
Rot. Bonds10

About 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol

1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol (PubChem CID 19916904) has the molecular formula C28H29FN2O2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol
PubChem CID19916904
Molecular FormulaC28H29FN2O2
Molecular Weight444.55 g/mol
Exact Mass444.22
IUPAC Name1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol
SMILESCOc1cccc(CCCCC(O)(c2ccc(F)cc2)c2cncn2Cc2ccccc2)c1
InChIInChI=1S/C28H29FN2O2/c1-33-26-12-7-11-22(18-26)8-5-6-17-28(32,24-13-15-25(29)16-14-24)27-19-30-21-31(27)20-23-9-3-2-4-10-23/h2-4,7,9-16,18-19,21,32H,5-6,8,17,20H2,1H3
InChIKeyQFEFYEWVCASIQX-UHFFFAOYSA-N
XLogP5.73
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
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-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol?
The IUPAC name of 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol (CID 19916904) is 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol.
What is the SMILES notation for 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol?
The canonical SMILES for 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol is COc1cccc(CCCCC(O)(c2ccc(F)cc2)c2cncn2Cc2ccccc2)c1.
What is the InChIKey of 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol?
The InChIKey is QFEFYEWVCASIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O2/c1-33-26-12-7-11-22(18-26)8-5-6-17-28(32,24-13-15-25(29)16-14-24)27-19-30-21-31(27)20-23-9-3-2-4-10-23/h2-4,7,9-16,18-19,21,32H,5-6,8,17,20H2,1H3.
What are the key properties of 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol?
1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol has a molecular weight of 444.55 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylimidazol-4-yl)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pentan-1-ol is sourced from PubChem (CID 19916904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).