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

C14H11FN2O — CID 91162654

IUPAC2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole
SMILESFc1ccc(Cc2ncc[nH]2)c(-c2ccco2)c1
InChIInChI=1S/C14H11FN2O/c15-11-4-3-10(8-14-16-5-6-17-14)12(9-11)13-2-1-7-18-13/h1-7,9H,8H2,(H,16,17)
InChIKeyFRIMVNHDBKUUBM-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.40
Rot. Bonds3

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

2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole (PubChem CID 91162654) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole
PubChem CID91162654
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole
SMILESFc1ccc(Cc2ncc[nH]2)c(-c2ccco2)c1
InChIInChI=1S/C14H11FN2O/c15-11-4-3-10(8-14-16-5-6-17-14)12(9-11)13-2-1-7-18-13/h1-7,9H,8H2,(H,16,17)
InChIKeyFRIMVNHDBKUUBM-UHFFFAOYSA-N
XLogP3.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole (CID 91162654) is 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole is Fc1ccc(Cc2ncc[nH]2)c(-c2ccco2)c1.
What is the InChIKey of 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole?
The InChIKey is FRIMVNHDBKUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-4-3-10(8-14-16-5-6-17-14)12(9-11)13-2-1-7-18-13/h1-7,9H,8H2,(H,16,17).
What are the key properties of 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole?
2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole has a molecular weight of 242.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-2-(furan-2-yl)phenyl]methyl]-1H-imidazole is sourced from PubChem (CID 91162654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).