1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole

C15H14N2O — CID 73178422

IUPAC1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole
SMILESCC(=CCn1ccnc1)c1cc2ccccc2o1
InChIInChI=1S/C15H14N2O/c1-12(6-8-17-9-7-16-11-17)15-10-13-4-2-3-5-14(13)18-15/h2-7,9-11H,8H2,1H3
InChIKeyVJEKPFIARSYNQX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.73
Rot. Bonds3

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

1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole (PubChem CID 73178422) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole
PubChem CID73178422
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole
SMILESCC(=CCn1ccnc1)c1cc2ccccc2o1
InChIInChI=1S/C15H14N2O/c1-12(6-8-17-9-7-16-11-17)15-10-13-4-2-3-5-14(13)18-15/h2-7,9-11H,8H2,1H3
InChIKeyVJEKPFIARSYNQX-UHFFFAOYSA-N
XLogP3.73
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran
CID 134858852
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CID 103971192
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 28833124
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-iodophenyl)-2H-pyrrol-5-one
CID 3274357
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
CID 122134954
3-(1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 3274347
1-benzofuran-2-ylmethyl imidazole-1-carboxylate
CID 142027707
1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole
CID 11971832
1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 11971831
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
CID 18467017
1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole
CID 70351166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole (CID 73178422) is 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole is CC(=CCn1ccnc1)c1cc2ccccc2o1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole?
The InChIKey is VJEKPFIARSYNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12(6-8-17-9-7-16-11-17)15-10-13-4-2-3-5-14(13)18-15/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole?
1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole has a molecular weight of 238.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole is sourced from PubChem (CID 73178422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).