5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole

C20H19FN2O — CID 142075968

IUPAC5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole
SMILESC=CCC(OCc1ccccc1)(c1cccc(F)c1)c1cnc[nH]1
InChIInChI=1S/C20H19FN2O/c1-2-11-20(19-13-22-15-23-19,17-9-6-10-18(21)12-17)24-14-16-7-4-3-5-8-16/h2-10,12-13,15H,1,11,14H2,(H,22,23)
InChIKeyIPQLVMXBRJABIH-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.59
Rot. Bonds7

About 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole

5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole (PubChem CID 142075968) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole
PubChem CID142075968
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole
SMILESC=CCC(OCc1ccccc1)(c1cccc(F)c1)c1cnc[nH]1
InChIInChI=1S/C20H19FN2O/c1-2-11-20(19-13-22-15-23-19,17-9-6-10-18(21)12-17)24-14-16-7-4-3-5-8-16/h2-10,12-13,15H,1,11,14H2,(H,22,23)
InChIKeyIPQLVMXBRJABIH-UHFFFAOYSA-N
XLogP4.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole?
The IUPAC name of 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole (CID 142075968) is 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole?
The canonical SMILES for 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole is C=CCC(OCc1ccccc1)(c1cccc(F)c1)c1cnc[nH]1.
What is the InChIKey of 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole?
The InChIKey is IPQLVMXBRJABIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-2-11-20(19-13-22-15-23-19,17-9-6-10-18(21)12-17)24-14-16-7-4-3-5-8-16/h2-10,12-13,15H,1,11,14H2,(H,22,23).
What are the key properties of 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole?
5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole has a molecular weight of 322.38 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole is sourced from PubChem (CID 142075968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).