1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol

C20H21FN2O — CID 14852359

IUPAC1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol
SMILESOC(CCCCc1ccccc1)(c1ccc(F)cc1)c1cnc[nH]1
InChIInChI=1S/C20H21FN2O/c21-18-11-9-17(10-12-18)20(24,19-14-22-15-23-19)13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,14-15,24H,4-5,8,13H2,(H,22,23)
InChIKeyIVLFKYCVDOCPNZ-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.20
Rot. Bonds7

About 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol

1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol (PubChem CID 14852359) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol
PubChem CID14852359
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol
SMILESOC(CCCCc1ccccc1)(c1ccc(F)cc1)c1cnc[nH]1
InChIInChI=1S/C20H21FN2O/c21-18-11-9-17(10-12-18)20(24,19-14-22-15-23-19)13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,14-15,24H,4-5,8,13H2,(H,22,23)
InChIKeyIVLFKYCVDOCPNZ-UHFFFAOYSA-N
XLogP4.20
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
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 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol (CID 14852359) is 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol is OC(CCCCc1ccccc1)(c1ccc(F)cc1)c1cnc[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol?
The InChIKey is IVLFKYCVDOCPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-11-9-17(10-12-18)20(24,19-14-22-15-23-19)13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,14-15,24H,4-5,8,13H2,(H,22,23).
What are the key properties of 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol?
1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol has a molecular weight of 324.40 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(1H-imidazol-5-yl)-5-phenylpentan-1-ol is sourced from PubChem (CID 14852359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).