1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole

C20H14F2N2O — CID 57291935

IUPAC1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole
SMILESFc1ccc(C(c2ccc(-c3ccccc3)o2)n2ccnc2)c(F)c1
InChIInChI=1S/C20H14F2N2O/c21-15-6-7-16(17(22)12-15)20(24-11-10-23-13-24)19-9-8-18(25-19)14-4-2-1-3-5-14/h1-13,20H
InChIKeyKZXLSNUMNZFMNZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP5.06
Rot. Bonds4

About 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole

1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole (PubChem CID 57291935) has the molecular formula C20H14F2N2O and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole
PubChem CID57291935
Molecular FormulaC20H14F2N2O
Molecular Weight336.34 g/mol
Exact Mass336.11
IUPAC Name1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole
SMILESFc1ccc(C(c2ccc(-c3ccccc3)o2)n2ccnc2)c(F)c1
InChIInChI=1S/C20H14F2N2O/c21-15-6-7-16(17(22)12-15)20(24-11-10-23-13-24)19-9-8-18(25-19)14-4-2-1-3-5-14/h1-13,20H
InChIKeyKZXLSNUMNZFMNZ-UHFFFAOYSA-N
XLogP5.06
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.34
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole?
The IUPAC name of 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole (CID 57291935) is 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole is Fc1ccc(C(c2ccc(-c3ccccc3)o2)n2ccnc2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole?
The InChIKey is KZXLSNUMNZFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O/c21-15-6-7-16(17(22)12-15)20(24-11-10-23-13-24)19-9-8-18(25-19)14-4-2-1-3-5-14/h1-13,20H.
What are the key properties of 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole?
1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole has a molecular weight of 336.34 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]imidazole is sourced from PubChem (CID 57291935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).