2-(1-methylimidazol-2-yl)-2-phenylacetonitrile

C12H11N3 — CID 116834667

IUPAC2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
SMILESCn1ccnc1C(C#N)c1ccccc1
InChIInChI=1S/C12H11N3/c1-15-8-7-14-12(15)11(9-13)10-5-3-2-4-6-10/h2-8,11H,1H3
InChIKeyAGTXLIPUXNAUTF-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.08
Rot. Bonds2

About 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile

2-(1-methylimidazol-2-yl)-2-phenylacetonitrile (PubChem CID 116834667) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
PubChem CID116834667
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
SMILESCn1ccnc1C(C#N)c1ccccc1
InChIInChI=1S/C12H11N3/c1-15-8-7-14-12(15)11(9-13)10-5-3-2-4-6-10/h2-8,11H,1H3
InChIKeyAGTXLIPUXNAUTF-UHFFFAOYSA-N
XLogP2.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 116834670
2-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834671
2-(1-methylimidazol-2-yl)-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 116834691
2-(4-fluoro-3-methylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834679
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile
CID 116834708
2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile
CID 116834712
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
triethyl-[(1-methylimidazol-2-yl)-phenylmethoxy]silane
CID 102165928

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile?
The IUPAC name of 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile (CID 116834667) is 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile is Cn1ccnc1C(C#N)c1ccccc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile?
The InChIKey is AGTXLIPUXNAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-15-8-7-14-12(15)11(9-13)10-5-3-2-4-6-10/h2-8,11H,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile?
2-(1-methylimidazol-2-yl)-2-phenylacetonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-2-phenylacetonitrile is sourced from PubChem (CID 116834667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).