5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile

C12H7N3O — CID 116879947

IUPAC5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2coc3ccccc23)[nH]1
InChIInChI=1S/C12H7N3O/c13-5-12-14-6-10(15-12)9-7-16-11-4-2-1-3-8(9)11/h1-4,6-7H,(H,14,15)
InChIKeyOEMOSCSKPQMTIQ-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.69
Rot. Bonds1

About 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile

5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile (PubChem CID 116879947) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile
PubChem CID116879947
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2coc3ccccc23)[nH]1
InChIInChI=1S/C12H7N3O/c13-5-12-14-6-10(15-12)9-7-16-11-4-2-1-3-8(9)11/h1-4,6-7H,(H,14,15)
InChIKeyOEMOSCSKPQMTIQ-UHFFFAOYSA-N
XLogP2.69
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883190
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955
5-(1-benzofuran-3-yl)-1H-pyrazole-3-carbonitrile
CID 116858597
2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876681
[1-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]cyclobutyl]methanol
CID 116882462
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882744
5-(2,3-dimethylphenyl)-1H-imidazole-2-carbonitrile
CID 19427230
4-(1-benzofuran-3-yl)pyrimidine-2-carbonitrile
CID 116900914
[5-(1-benzofuran-3-yl)pyrimidin-2-yl]-methylcyanamide
CID 116977892
5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
CID 116858958
5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
CID 116879884
5-(1-benzofuran-3-yl)-4-bromo-1,2-oxazole-3-carbonitrile
CID 116859112

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile (CID 116879947) is 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile is N#Cc1ncc(-c2coc3ccccc23)[nH]1.
What is the InChIKey of 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile?
The InChIKey is OEMOSCSKPQMTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c13-5-12-14-6-10(15-12)9-7-16-11-4-2-1-3-8(9)11/h1-4,6-7H,(H,14,15).
What are the key properties of 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile?
5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile has a molecular weight of 209.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 116879947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).