2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole

C20H18N2O — CID 71725442

IUPAC2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole
SMILESCCc1nccn1Cc1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H18N2O/c1-2-19-21-12-13-22(19)14-17-16-10-6-7-11-18(16)23-20(17)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyVCIRECVXSCDLNS-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.91
Rot. Bonds4

About 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole

2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole (PubChem CID 71725442) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole
PubChem CID71725442
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole
SMILESCCc1nccn1Cc1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H18N2O/c1-2-19-21-12-13-22(19)14-17-16-10-6-7-11-18(16)23-20(17)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyVCIRECVXSCDLNS-UHFFFAOYSA-N
XLogP4.91
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole?
The IUPAC name of 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole (CID 71725442) is 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole?
The canonical SMILES for 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole is CCc1nccn1Cc1c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole?
The InChIKey is VCIRECVXSCDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-19-21-12-13-22(19)14-17-16-10-6-7-11-18(16)23-20(17)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3.
What are the key properties of 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole?
2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole has a molecular weight of 302.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazole is sourced from PubChem (CID 71725442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).