(2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine

C14H17N3 — CID 10105150

IUPAC(2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine
SMILESCCCCN1C=CC=C/C1=C\C=C1N=CC=N1
InChIInChI=1S/C14H17N3/c1-2-3-11-17-12-5-4-6-13(17)7-8-14-15-9-10-16-14/h4-10,12H,2-3,11H2,1H3/b13-7+
InChIKeyMVUJONDNKIRVHZ-NTUHNPAUSA-N
MW227.31 g/mol
LogP3.05
Rot. Bonds4

About (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine

(2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine (PubChem CID 10105150) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine.

Molecular Properties

Compound Name(2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine
PubChem CID10105150
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine
SMILESCCCCN1C=CC=C/C1=C\C=C1N=CC=N1
InChIInChI=1S/C14H17N3/c1-2-3-11-17-12-5-4-6-13(17)7-8-14-15-9-10-16-14/h4-10,12H,2-3,11H2,1H3/b13-7+
InChIKeyMVUJONDNKIRVHZ-NTUHNPAUSA-N
XLogP3.05
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine?
The IUPAC name of (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine (CID 10105150) is (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine.
What is the SMILES notation for (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine?
The canonical SMILES for (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine is CCCCN1C=CC=C/C1=C\C=C1N=CC=N1.
What is the InChIKey of (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine?
The InChIKey is MVUJONDNKIRVHZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-3-11-17-12-5-4-6-13(17)7-8-14-15-9-10-16-14/h4-10,12H,2-3,11H2,1H3/b13-7+.
What are the key properties of (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine?
(2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine has a molecular weight of 227.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-butyl-2-(2-imidazol-2-ylideneethylidene)pyridine is sourced from PubChem (CID 10105150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).