2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile

C14H15N3 — CID 152719155

IUPAC2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile
SMILESCc1ncc(C(C)(C#N)Cc2ccccc2)[nH]1
InChIInChI=1S/C14H15N3/c1-11-16-9-13(17-11)14(2,10-15)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZVGBEPMENWTWNC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile

2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile (PubChem CID 152719155) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile
PubChem CID152719155
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile
SMILESCc1ncc(C(C)(C#N)Cc2ccccc2)[nH]1
InChIInChI=1S/C14H15N3/c1-11-16-9-13(17-11)14(2,10-15)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZVGBEPMENWTWNC-UHFFFAOYSA-N
XLogP2.74
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile?
The IUPAC name of 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile (CID 152719155) is 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile.
What is the SMILES notation for 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile?
The canonical SMILES for 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile is Cc1ncc(C(C)(C#N)Cc2ccccc2)[nH]1.
What is the InChIKey of 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile?
The InChIKey is ZVGBEPMENWTWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-11-16-9-13(17-11)14(2,10-15)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile?
2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile has a molecular weight of 225.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile is sourced from PubChem (CID 152719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).