2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile

C11H9N3O — CID 57438381

IUPAC2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile
SMILESCOc1ccccc1-c1ncc(C#N)[nH]1
InChIInChI=1S/C11H9N3O/c1-15-10-5-3-2-4-9(10)11-13-7-8(6-12)14-11/h2-5,7H,1H3,(H,13,14)
InChIKeyVGBHZDJHQMMKDZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.96
Rot. Bonds2

About 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile

2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile (PubChem CID 57438381) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile
PubChem CID57438381
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile
SMILESCOc1ccccc1-c1ncc(C#N)[nH]1
InChIInChI=1S/C11H9N3O/c1-15-10-5-3-2-4-9(10)11-13-7-8(6-12)14-11/h2-5,7H,1H3,(H,13,14)
InChIKeyVGBHZDJHQMMKDZ-UHFFFAOYSA-N
XLogP1.96
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile (CID 57438381) is 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile is COc1ccccc1-c1ncc(C#N)[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile?
The InChIKey is VGBHZDJHQMMKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-15-10-5-3-2-4-9(10)11-13-7-8(6-12)14-11/h2-5,7H,1H3,(H,13,14).
What are the key properties of 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile?
2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 57438381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).