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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Related Compounds

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
[5-(Dimethylamino)-3-[2-(dimethylamino)ethenyl]penta-2,4-dienylidene]-dimethylazanium
CID 498425
[(4E)-5-(dimethylamino)-3-[(E)-2-(dimethylamino)vinyl]penta-2,4-dienylidene]-dimethyl-ammonium
CID 5935493
2-[(2Z)-2-methylpenta-2,4-dienylidene]imidazole
CID 122697921
1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene
CID 143803423
ethane;2-[(3E,5Z)-hepta-3,5-dien-3-yl]-1-methyl-2H-pyrimidine
CID 144410975
8-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium
CID 172494365
[(2Z,4Z)-5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium
CID 2046516
[5-(Dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium
CID 2770074
[(4E)-5-(dimethylamino)-3-methylpenta-2,4-dienylidene]-dimethylazanium
CID 7012074
4-(2-Imidazol-2-ylideneethylidene)-1-methylpyridine
CID 10352387
ethyl-[(2E)-3-methylpenta-2,4-dienylidene]-[(1E,3Z)-penta-1,3-dienyl]azanium
CID 142078556

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).