2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole

C21H17FN2O — CID 121386601

IUPAC2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccc(-c3cccc(F)c3C)o2)nc1-c1ccccc1
InChIInChI=1S/C21H17FN2O/c1-13-16(9-6-10-17(13)22)18-11-12-19(25-18)21-23-14(2)20(24-21)15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,24)
InChIKeyWXCHSEBPHVRUIH-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.76
Rot. Bonds3

About 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole

2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole (PubChem CID 121386601) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
PubChem CID121386601
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccc(-c3cccc(F)c3C)o2)nc1-c1ccccc1
InChIInChI=1S/C21H17FN2O/c1-13-16(9-6-10-17(13)22)18-11-12-19(25-18)21-23-14(2)20(24-21)15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,24)
InChIKeyWXCHSEBPHVRUIH-UHFFFAOYSA-N
XLogP5.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The IUPAC name of 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole (CID 121386601) is 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The canonical SMILES for 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole is Cc1[nH]c(-c2ccc(-c3cccc(F)c3C)o2)nc1-c1ccccc1.
What is the InChIKey of 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The InChIKey is WXCHSEBPHVRUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-13-16(9-6-10-17(13)22)18-11-12-19(25-18)21-23-14(2)20(24-21)15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,24).
What are the key properties of 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole?
2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole has a molecular weight of 332.38 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-2-methylphenyl)furan-2-yl]-5-methyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 121386601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).