2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile

C16H19N3 — CID 116834708

IUPAC2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile
SMILESCc1cc(C)c(C)c(C(C#N)c2nccn2C)c1C
InChIInChI=1S/C16H19N3/c1-10-8-11(2)13(4)15(12(10)3)14(9-17)16-18-6-7-19(16)5/h6-8,14H,1-5H3
InChIKeyJCFGCPYRIIZLAH-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.31
Rot. Bonds2

About 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile

2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile (PubChem CID 116834708) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile
PubChem CID116834708
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile
SMILESCc1cc(C)c(C)c(C(C#N)c2nccn2C)c1C
InChIInChI=1S/C16H19N3/c1-10-8-11(2)13(4)15(12(10)3)14(9-17)16-18-6-7-19(16)5/h6-8,14H,1-5H3
InChIKeyJCFGCPYRIIZLAH-UHFFFAOYSA-N
XLogP3.31
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834679
2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
CID 116834667
2-(6-methyl-1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834773
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-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile
CID 116834712
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 61315934
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-methyl-2-pentan-3-ylimidazole
CID 89261277

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile?
The IUPAC name of 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile (CID 116834708) is 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile is Cc1cc(C)c(C)c(C(C#N)c2nccn2C)c1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile?
The InChIKey is JCFGCPYRIIZLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-8-11(2)13(4)15(12(10)3)14(9-17)16-18-6-7-19(16)5/h6-8,14H,1-5H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile?
2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.31, 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-(2,3,5,6-tetramethylphenyl)acetonitrile is sourced from PubChem (CID 116834708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).