2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole

C14H12N2O2 — CID 91520230

IUPAC2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole
SMILESCOc1ccc(-c2ccoc2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C14H12N2O2/c1-17-11-2-3-12(10-4-7-18-9-10)13(8-11)14-15-5-6-16-14/h2-9H,1H3,(H,15,16)
InChIKeyLEKLPPWAPDAJSQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds3

About 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole

2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole (PubChem CID 91520230) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole
PubChem CID91520230
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole
SMILESCOc1ccc(-c2ccoc2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C14H12N2O2/c1-17-11-2-3-12(10-4-7-18-9-10)13(8-11)14-15-5-6-16-14/h2-9H,1H3,(H,15,16)
InChIKeyLEKLPPWAPDAJSQ-UHFFFAOYSA-N
XLogP3.35
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole?
The IUPAC name of 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole (CID 91520230) is 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole?
The canonical SMILES for 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole is COc1ccc(-c2ccoc2)c(-c2ncc[nH]2)c1.
What is the InChIKey of 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole?
The InChIKey is LEKLPPWAPDAJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-2-3-12(10-4-7-18-9-10)13(8-11)14-15-5-6-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole?
2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole has a molecular weight of 240.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole is sourced from PubChem (CID 91520230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).