1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole

C20H18N2O3 — CID 10404636

IUPAC1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole
SMILESCOc1ccc(C(c2cc3ccc(OC)cc3o2)n2ccnc2)cc1
InChIInChI=1S/C20H18N2O3/c1-23-16-6-3-14(4-7-16)20(22-10-9-21-13-22)19-11-15-5-8-17(24-2)12-18(15)25-19/h3-13,20H,1-2H3
InChIKeyPKSNASDRHDFKQO-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.28
Rot. Bonds5

About 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole

1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole (PubChem CID 10404636) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole
PubChem CID10404636
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole
SMILESCOc1ccc(C(c2cc3ccc(OC)cc3o2)n2ccnc2)cc1
InChIInChI=1S/C20H18N2O3/c1-23-16-6-3-14(4-7-16)20(22-10-9-21-13-22)19-11-15-5-8-17(24-2)12-18(15)25-19/h3-13,20H,1-2H3
InChIKeyPKSNASDRHDFKQO-UHFFFAOYSA-N
XLogP4.28
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole?
The IUPAC name of 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole (CID 10404636) is 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole?
The canonical SMILES for 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole is COc1ccc(C(c2cc3ccc(OC)cc3o2)n2ccnc2)cc1.
What is the InChIKey of 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole?
The InChIKey is PKSNASDRHDFKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-23-16-6-3-14(4-7-16)20(22-10-9-21-13-22)19-11-15-5-8-17(24-2)12-18(15)25-19/h3-13,20H,1-2H3.
What are the key properties of 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole?
1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole has a molecular weight of 334.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]imidazole is sourced from PubChem (CID 10404636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).