5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole

C18H14N2O2 — CID 52935729

IUPAC5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole
SMILESc1ccc(-c2cnc[nH]2)c(OCc2ccc3occc3c2)c1
InChIInChI=1S/C18H14N2O2/c1-2-4-18(15(3-1)16-10-19-12-20-16)22-11-13-5-6-17-14(9-13)7-8-21-17/h1-10,12H,11H2,(H,19,20)
InChIKeyDCVGQYJINQCTAQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.40
Rot. Bonds4

About 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole

5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole (PubChem CID 52935729) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole
PubChem CID52935729
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole
SMILESc1ccc(-c2cnc[nH]2)c(OCc2ccc3occc3c2)c1
InChIInChI=1S/C18H14N2O2/c1-2-4-18(15(3-1)16-10-19-12-20-16)22-11-13-5-6-17-14(9-13)7-8-21-17/h1-10,12H,11H2,(H,19,20)
InChIKeyDCVGQYJINQCTAQ-UHFFFAOYSA-N
XLogP4.40
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole?
The IUPAC name of 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole (CID 52935729) is 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole is c1ccc(-c2cnc[nH]2)c(OCc2ccc3occc3c2)c1.
What is the InChIKey of 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole?
The InChIKey is DCVGQYJINQCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-2-4-18(15(3-1)16-10-19-12-20-16)22-11-13-5-6-17-14(9-13)7-8-21-17/h1-10,12H,11H2,(H,19,20).
What are the key properties of 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole?
5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole has a molecular weight of 290.32 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 52935729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).