1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole

C21H20N2O2 — CID 15599361

IUPAC1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole
SMILESCn1ccnc1/C=C/c1cc2c(cc1OCc1ccccc1)CCO2
InChIInChI=1S/C21H20N2O2/c1-23-11-10-22-21(23)8-7-17-13-19-18(9-12-24-19)14-20(17)25-15-16-5-3-2-4-6-16/h2-8,10-11,13-14H,9,12,15H2,1H3/b8-7+
InChIKeyVYWONJDEPZUKDZ-BQYQJAHWSA-N
MW332.40 g/mol
LogP4.10
Rot. Bonds5

About 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole

1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole (PubChem CID 15599361) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole
PubChem CID15599361
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole
SMILESCn1ccnc1/C=C/c1cc2c(cc1OCc1ccccc1)CCO2
InChIInChI=1S/C21H20N2O2/c1-23-11-10-22-21(23)8-7-17-13-19-18(9-12-24-19)14-20(17)25-15-16-5-3-2-4-6-16/h2-8,10-11,13-14H,9,12,15H2,1H3/b8-7+
InChIKeyVYWONJDEPZUKDZ-BQYQJAHWSA-N
XLogP4.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
The IUPAC name of 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole (CID 15599361) is 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
The canonical SMILES for 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole is Cn1ccnc1/C=C/c1cc2c(cc1OCc1ccccc1)CCO2.
What is the InChIKey of 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
The InChIKey is VYWONJDEPZUKDZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-23-11-10-22-21(23)8-7-17-13-19-18(9-12-24-19)14-20(17)25-15-16-5-3-2-4-6-16/h2-8,10-11,13-14H,9,12,15H2,1H3/b8-7+.
What are the key properties of 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole has a molecular weight of 332.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole is sourced from PubChem (CID 15599361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).