2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole

C19H19FN2O — CID 91604837

IUPAC2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole
SMILESCCCCOc1ccc(-c2ccccc2F)c(-c2ncc[nH]2)c1
InChIInChI=1S/C19H19FN2O/c1-2-3-12-23-14-8-9-15(16-6-4-5-7-18(16)20)17(13-14)19-21-10-11-22-19/h4-11,13H,2-3,12H2,1H3,(H,21,22)
InChIKeyPJRKRUTVMBDQDV-UHFFFAOYSA-N
MW310.37 g/mol
LogP5.06
Rot. Bonds6

About 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole

2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole (PubChem CID 91604837) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole
PubChem CID91604837
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole
SMILESCCCCOc1ccc(-c2ccccc2F)c(-c2ncc[nH]2)c1
InChIInChI=1S/C19H19FN2O/c1-2-3-12-23-14-8-9-15(16-6-4-5-7-18(16)20)17(13-14)19-21-10-11-22-19/h4-11,13H,2-3,12H2,1H3,(H,21,22)
InChIKeyPJRKRUTVMBDQDV-UHFFFAOYSA-N
XLogP5.06
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11736810
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2-(12-docosoxydodecoxy)fluoren-9-one
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2-(4-butoxyphenyl)-1,3-difluorobenzene
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2-[4-(4-dodecoxyphenyl)-2-fluorophenyl]-1H-benzimidazole
CID 177460870
3-(1H-imidazol-2-yl)-2-methylpyridine
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2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
7-[(3-butoxyphenyl)methyl]-2-(2-fluorophenyl)-1H-purin-6-one
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5-butoxy-2-phenylphenol
CID 70451587
1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene
CID 67797974

Frequently Asked Questions

What is the IUPAC name of 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole?
The IUPAC name of 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole (CID 91604837) is 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole is CCCCOc1ccc(-c2ccccc2F)c(-c2ncc[nH]2)c1.
What is the InChIKey of 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole?
The InChIKey is PJRKRUTVMBDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-2-3-12-23-14-8-9-15(16-6-4-5-7-18(16)20)17(13-14)19-21-10-11-22-19/h4-11,13H,2-3,12H2,1H3,(H,21,22).
What are the key properties of 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole?
2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole has a molecular weight of 310.37 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-butoxy-2-(2-fluorophenyl)phenyl]-1H-imidazole is sourced from PubChem (CID 91604837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).