1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine

C14H17N3 — CID 10082463

IUPAC1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine
SMILESCCCCN1C=CC(=CC=C2N=CC=N2)C=C1
InChIInChI=1S/C14H17N3/c1-2-3-10-17-11-6-13(7-12-17)4-5-14-15-8-9-16-14/h4-9,11-12H,2-3,10H2,1H3
InChIKeyKBICOHLDYMEIPP-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.05
Rot. Bonds4

About 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine

1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine (PubChem CID 10082463) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine.

Molecular Properties

Compound Name1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine
PubChem CID10082463
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine
SMILESCCCCN1C=CC(=CC=C2N=CC=N2)C=C1
InChIInChI=1S/C14H17N3/c1-2-3-10-17-11-6-13(7-12-17)4-5-14-15-8-9-16-14/h4-9,11-12H,2-3,10H2,1H3
InChIKeyKBICOHLDYMEIPP-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine?
The IUPAC name of 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine (CID 10082463) is 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine.
What is the SMILES notation for 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine?
The canonical SMILES for 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine is CCCCN1C=CC(=CC=C2N=CC=N2)C=C1.
What is the InChIKey of 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine?
The InChIKey is KBICOHLDYMEIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-3-10-17-11-6-13(7-12-17)4-5-14-15-8-9-16-14/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine?
1-butyl-4-(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 1-butyl-4-(2-imidazol-2-ylideneethylidene)pyridine is sourced from PubChem (CID 10082463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).