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

C14H12N2O — CID 53316510

IUPAC1-[(5-phenylfuran-2-yl)methyl]imidazole
SMILESc1ccc(-c2ccc(Cn3ccnc3)o2)cc1
InChIInChI=1S/C14H12N2O/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2
InChIKeyDVJZZOQICDSXPO-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.19
Rot. Bonds3

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

1-[(5-phenylfuran-2-yl)methyl]imidazole (PubChem CID 53316510) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(5-phenylfuran-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-phenylfuran-2-yl)methyl]imidazole
PubChem CID53316510
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-[(5-phenylfuran-2-yl)methyl]imidazole
SMILESc1ccc(-c2ccc(Cn3ccnc3)o2)cc1
InChIInChI=1S/C14H12N2O/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2
InChIKeyDVJZZOQICDSXPO-UHFFFAOYSA-N
XLogP3.19
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenylfuran-2-yl)methyl]imidazole?
The IUPAC name of 1-[(5-phenylfuran-2-yl)methyl]imidazole (CID 53316510) is 1-[(5-phenylfuran-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5-phenylfuran-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(5-phenylfuran-2-yl)methyl]imidazole is c1ccc(-c2ccc(Cn3ccnc3)o2)cc1.
What is the InChIKey of 1-[(5-phenylfuran-2-yl)methyl]imidazole?
The InChIKey is DVJZZOQICDSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2.
What are the key properties of 1-[(5-phenylfuran-2-yl)methyl]imidazole?
1-[(5-phenylfuran-2-yl)methyl]imidazole has a molecular weight of 224.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenylfuran-2-yl)methyl]imidazole is sourced from PubChem (CID 53316510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).