4-(2-methylimidazol-1-yl)benzonitrile

C11H9N3 — CID 15005384

IUPAC4-(2-methylimidazol-1-yl)benzonitrile
SMILESCc1nccn1-c1ccc(C#N)cc1
InChIInChI=1S/C11H9N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,1H3
InChIKeyFAMJRKMLLLJOGZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.05
Rot. Bonds1

About 4-(2-methylimidazol-1-yl)benzonitrile

4-(2-methylimidazol-1-yl)benzonitrile (PubChem CID 15005384) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)benzonitrile
PubChem CID15005384
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4-(2-methylimidazol-1-yl)benzonitrile
SMILESCc1nccn1-c1ccc(C#N)cc1
InChIInChI=1S/C11H9N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,1H3
InChIKeyFAMJRKMLLLJOGZ-UHFFFAOYSA-N
XLogP2.05
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)benzonitrile?
The IUPAC name of 4-(2-methylimidazol-1-yl)benzonitrile (CID 15005384) is 4-(2-methylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)benzonitrile?
The canonical SMILES for 4-(2-methylimidazol-1-yl)benzonitrile is Cc1nccn1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)benzonitrile?
The InChIKey is FAMJRKMLLLJOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,1H3.
What are the key properties of 4-(2-methylimidazol-1-yl)benzonitrile?
4-(2-methylimidazol-1-yl)benzonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 15005384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).