5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole

C21H21FN2O — CID 54388907

IUPAC5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole
SMILESCOc1cccc(CCCC=C(c2ccc(F)cc2)c2cnc[nH]2)c1
InChIInChI=1S/C21H21FN2O/c1-25-19-7-4-6-16(13-19)5-2-3-8-20(21-14-23-15-24-21)17-9-11-18(22)12-10-17/h4,6-15H,2-3,5H2,1H3,(H,23,24)
InChIKeyVFFVGIUCNFTMJA-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.01
Rot. Bonds7

About 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole

5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole (PubChem CID 54388907) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole
PubChem CID54388907
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole
SMILESCOc1cccc(CCCC=C(c2ccc(F)cc2)c2cnc[nH]2)c1
InChIInChI=1S/C21H21FN2O/c1-25-19-7-4-6-16(13-19)5-2-3-8-20(21-14-23-15-24-21)17-9-11-18(22)12-10-17/h4,6-15H,2-3,5H2,1H3,(H,23,24)
InChIKeyVFFVGIUCNFTMJA-UHFFFAOYSA-N
XLogP5.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole?
The IUPAC name of 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole (CID 54388907) is 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole is COc1cccc(CCCC=C(c2ccc(F)cc2)c2cnc[nH]2)c1.
What is the InChIKey of 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole?
The InChIKey is VFFVGIUCNFTMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-25-19-7-4-6-16(13-19)5-2-3-8-20(21-14-23-15-24-21)17-9-11-18(22)12-10-17/h4,6-15H,2-3,5H2,1H3,(H,23,24).
What are the key properties of 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole?
5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole has a molecular weight of 336.41 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole is sourced from PubChem (CID 54388907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).