2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile

C13H13N3 — CID 57149183

IUPAC2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile
SMILESCc1[nH]c(-c2ccccc2)nc1C(C)C#N
InChIInChI=1S/C13H13N3/c1-9(8-14)12-10(2)15-13(16-12)11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,15,16)
InChIKeyZVGBQTRRQJXRIZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.01
Rot. Bonds2

About 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile

2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile (PubChem CID 57149183) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile
PubChem CID57149183
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile
SMILESCc1[nH]c(-c2ccccc2)nc1C(C)C#N
InChIInChI=1S/C13H13N3/c1-9(8-14)12-10(2)15-13(16-12)11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,15,16)
InChIKeyZVGBQTRRQJXRIZ-UHFFFAOYSA-N
XLogP3.01
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile?
The IUPAC name of 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile (CID 57149183) is 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile?
The canonical SMILES for 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile is Cc1[nH]c(-c2ccccc2)nc1C(C)C#N.
What is the InChIKey of 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile?
The InChIKey is ZVGBQTRRQJXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9(8-14)12-10(2)15-13(16-12)11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,15,16).
What are the key properties of 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile?
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile has a molecular weight of 211.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile is sourced from PubChem (CID 57149183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).