2-(2-phenylimidazol-1-yl)hexanedinitrile

C15H14N4 — CID 174838336

IUPAC2-(2-phenylimidazol-1-yl)hexanedinitrile
SMILESN#CCCCC(C#N)n1ccnc1-c1ccccc1
InChIInChI=1S/C15H14N4/c16-9-5-4-8-14(12-17)19-11-10-18-15(19)13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8H2
InChIKeyRZOZAOGIMUHHJY-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-phenylimidazol-1-yl)hexanedinitrile

2-(2-phenylimidazol-1-yl)hexanedinitrile (PubChem CID 174838336) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)hexanedinitrile.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)hexanedinitrile
PubChem CID174838336
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-(2-phenylimidazol-1-yl)hexanedinitrile
SMILESN#CCCCC(C#N)n1ccnc1-c1ccccc1
InChIInChI=1S/C15H14N4/c16-9-5-4-8-14(12-17)19-11-10-18-15(19)13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8H2
InChIKeyRZOZAOGIMUHHJY-UHFFFAOYSA-N
XLogP3.31
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazol-1-yl)hexanedinitrile?
The IUPAC name of 2-(2-phenylimidazol-1-yl)hexanedinitrile (CID 174838336) is 2-(2-phenylimidazol-1-yl)hexanedinitrile.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)hexanedinitrile?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)hexanedinitrile is N#CCCCC(C#N)n1ccnc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)hexanedinitrile?
The InChIKey is RZOZAOGIMUHHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-5-4-8-14(12-17)19-11-10-18-15(19)13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8H2.
What are the key properties of 2-(2-phenylimidazol-1-yl)hexanedinitrile?
2-(2-phenylimidazol-1-yl)hexanedinitrile has a molecular weight of 250.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)hexanedinitrile is sourced from PubChem (CID 174838336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).