1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole

C18H14N2O2 — CID 70351166

IUPAC1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole
SMILESCOc1c(-c2cc3ccccc3o2)cccc1-n1ccnc1
InChIInChI=1S/C18H14N2O2/c1-21-18-14(6-4-7-15(18)20-10-9-19-12-20)17-11-13-5-2-3-8-16(13)22-17/h2-12H,1H3
InChIKeyJNOZIUAXZJNFDC-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.29
Rot. Bonds3

About 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole

1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole (PubChem CID 70351166) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole
PubChem CID70351166
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole
SMILESCOc1c(-c2cc3ccccc3o2)cccc1-n1ccnc1
InChIInChI=1S/C18H14N2O2/c1-21-18-14(6-4-7-15(18)20-10-9-19-12-20)17-11-13-5-2-3-8-16(13)22-17/h2-12H,1H3
InChIKeyJNOZIUAXZJNFDC-UHFFFAOYSA-N
XLogP4.29
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole (CID 70351166) is 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole is COc1c(-c2cc3ccccc3o2)cccc1-n1ccnc1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole?
The InChIKey is JNOZIUAXZJNFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-18-14(6-4-7-15(18)20-10-9-19-12-20)17-11-13-5-2-3-8-16(13)22-17/h2-12H,1H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole?
1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole has a molecular weight of 290.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole is sourced from PubChem (CID 70351166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).