5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole

C21H22FIN2O — CID 70367362

IUPAC5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole
SMILESCOc1ccc(CCCCC(I)(c2ccc(F)cc2)c2cnc[nH]2)cc1
InChIInChI=1S/C21H22FIN2O/c1-26-19-11-5-16(6-12-19)4-2-3-13-21(23,20-14-24-15-25-20)17-7-9-18(22)10-8-17/h5-12,14-15H,2-4,13H2,1H3,(H,24,25)
InChIKeyQPYXKRZDZIRTQW-UHFFFAOYSA-N
MW464.32 g/mol
LogP5.65
Rot. Bonds8

About 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole

5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole (PubChem CID 70367362) has the molecular formula C21H22FIN2O and a molecular weight of 464.32 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole
PubChem CID70367362
Molecular FormulaC21H22FIN2O
Molecular Weight464.32 g/mol
Exact Mass464.08
IUPAC Name5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole
SMILESCOc1ccc(CCCCC(I)(c2ccc(F)cc2)c2cnc[nH]2)cc1
InChIInChI=1S/C21H22FIN2O/c1-26-19-11-5-16(6-12-19)4-2-3-13-21(23,20-14-24-15-25-20)17-7-9-18(22)10-8-17/h5-12,14-15H,2-4,13H2,1H3,(H,24,25)
InChIKeyQPYXKRZDZIRTQW-UHFFFAOYSA-N
XLogP5.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338
1-(6,6-dimethyloctyl)-4-methoxybenzene
CID 54371242
5-[6-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-3-(1H-imidazol-5-yl)hex-2-enoxy]hex-2-en-3-yl]-1H-imidazole
CID 67730571
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
CID 139457109
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
1-[3-(4-fluorophenyl)propyl]-3-(4-methoxyphenyl)thiourea
CID 100673662

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole?
The IUPAC name of 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole (CID 70367362) is 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole is COc1ccc(CCCCC(I)(c2ccc(F)cc2)c2cnc[nH]2)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole?
The InChIKey is QPYXKRZDZIRTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FIN2O/c1-26-19-11-5-16(6-12-19)4-2-3-13-21(23,20-14-24-15-25-20)17-7-9-18(22)10-8-17/h5-12,14-15H,2-4,13H2,1H3,(H,24,25).
What are the key properties of 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole?
5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole has a molecular weight of 464.32 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole is sourced from PubChem (CID 70367362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).