1-[4-(1-benzofuran-2-yl)phenyl]imidazole

C17H12N2O — CID 70689689

IUPAC1-[4-(1-benzofuran-2-yl)phenyl]imidazole
SMILESc1ccc2oc(-c3ccc(-n4ccnc4)cc3)cc2c1
InChIInChI=1S/C17H12N2O/c1-2-4-16-14(3-1)11-17(20-16)13-5-7-15(8-6-13)19-10-9-18-12-19/h1-12H
InChIKeyBSNSZOIRZDHVDG-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.29
Rot. Bonds2

About 1-[4-(1-benzofuran-2-yl)phenyl]imidazole

1-[4-(1-benzofuran-2-yl)phenyl]imidazole (PubChem CID 70689689) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)phenyl]imidazole
PubChem CID70689689
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name1-[4-(1-benzofuran-2-yl)phenyl]imidazole
SMILESc1ccc2oc(-c3ccc(-n4ccnc4)cc3)cc2c1
InChIInChI=1S/C17H12N2O/c1-2-4-16-14(3-1)11-17(20-16)13-5-7-15(8-6-13)19-10-9-18-12-19/h1-12H
InChIKeyBSNSZOIRZDHVDG-UHFFFAOYSA-N
XLogP4.29
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)phenyl]imidazole?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)phenyl]imidazole (CID 70689689) is 1-[4-(1-benzofuran-2-yl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)phenyl]imidazole?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)phenyl]imidazole is c1ccc2oc(-c3ccc(-n4ccnc4)cc3)cc2c1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)phenyl]imidazole?
The InChIKey is BSNSZOIRZDHVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-2-4-16-14(3-1)11-17(20-16)13-5-7-15(8-6-13)19-10-9-18-12-19/h1-12H.
What are the key properties of 1-[4-(1-benzofuran-2-yl)phenyl]imidazole?
1-[4-(1-benzofuran-2-yl)phenyl]imidazole has a molecular weight of 260.30 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)phenyl]imidazole is sourced from PubChem (CID 70689689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).