2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile

C13H13N3 — CID 55139509

IUPAC2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
SMILESCC(C#N)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H13N3/c1-11(9-14)10-16-8-7-15-13(16)12-5-3-2-4-6-12/h2-8,11H,10H2,1H3
InChIKeyADKVLEPIHVWGTO-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile

2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile (PubChem CID 55139509) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
PubChem CID55139509
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
SMILESCC(C#N)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H13N3/c1-11(9-14)10-16-8-7-15-13(16)12-5-3-2-4-6-12/h2-8,11H,10H2,1H3
InChIKeyADKVLEPIHVWGTO-UHFFFAOYSA-N
XLogP2.71
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile (CID 55139509) is 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile is CC(C#N)Cn1ccnc1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile?
The InChIKey is ADKVLEPIHVWGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-11(9-14)10-16-8-7-15-13(16)12-5-3-2-4-6-12/h2-8,11H,10H2,1H3.
What are the key properties of 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile?
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile has a molecular weight of 211.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile is sourced from PubChem (CID 55139509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).