2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile

C15H13N3O — CID 116883190

IUPAC2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile
SMILESCCC(C#N)c1ncc(-c2coc3ccccc23)[nH]1
InChIInChI=1S/C15H13N3O/c1-2-10(7-16)15-17-8-13(18-15)12-9-19-14-6-4-3-5-11(12)14/h3-6,8-10H,2H2,1H3,(H,17,18)
InChIKeyACYWWAWDNVCWNJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.84
Rot. Bonds3

About 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile

2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile (PubChem CID 116883190) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile.

Molecular Properties

Compound Name2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile
PubChem CID116883190
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile
SMILESCCC(C#N)c1ncc(-c2coc3ccccc23)[nH]1
InChIInChI=1S/C15H13N3O/c1-2-10(7-16)15-17-8-13(18-15)12-9-19-14-6-4-3-5-11(12)14/h3-6,8-10H,2H2,1H3,(H,17,18)
InChIKeyACYWWAWDNVCWNJ-UHFFFAOYSA-N
XLogP3.84
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile
CID 116883197
2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876681
2-(5-phenyl-1H-imidazol-2-yl)butanenitrile
CID 116883109
5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile
CID 116879947
2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883139
2-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883173
5-(1-benzofuran-3-yl)-1H-pyrazole-3-carbonitrile
CID 116858597
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883116
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882744
[1-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]cyclobutyl]methanol
CID 116882462
2-[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883145
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile?
The IUPAC name of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile (CID 116883190) is 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile.
What is the SMILES notation for 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile?
The canonical SMILES for 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile is CCC(C#N)c1ncc(-c2coc3ccccc23)[nH]1.
What is the InChIKey of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile?
The InChIKey is ACYWWAWDNVCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-10(7-16)15-17-8-13(18-15)12-9-19-14-6-4-3-5-11(12)14/h3-6,8-10H,2H2,1H3,(H,17,18).
What are the key properties of 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile?
2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile has a molecular weight of 251.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile is sourced from PubChem (CID 116883190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).