2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine

C14H15N3 — CID 143627540

IUPAC2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine
SMILESC=C/C=C\c1c(C)nc(-c2ccccn2)n1C
InChIInChI=1S/C14H15N3/c1-4-5-9-13-11(2)16-14(17(13)3)12-8-6-7-10-15-12/h4-10H,1H2,2-3H3/b9-5-
InChIKeyTXPZAXOZNRIFDJ-UITAMQMPSA-N
MW225.30 g/mol
LogP2.99
Rot. Bonds3

About 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine

2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine (PubChem CID 143627540) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine
PubChem CID143627540
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine
SMILESC=C/C=C\c1c(C)nc(-c2ccccn2)n1C
InChIInChI=1S/C14H15N3/c1-4-5-9-13-11(2)16-14(17(13)3)12-8-6-7-10-15-12/h4-10H,1H2,2-3H3/b9-5-
InChIKeyTXPZAXOZNRIFDJ-UITAMQMPSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(1Z)-buta-1,3-dienyl]-5-methylcyclohexa-1,5-dien-1-yl]pyridine;ethane
CID 145134911
4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
CID 15074070
2-[4-[(1Z)-buta-1,3-dienyl]thiophen-2-yl]pyridine
CID 143836856
2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole
CID 134478719
3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
CID 14011825
5,6-diisothiocyanato-1-methyl-2-pyridin-2-ylbenzimidazole
CID 90673810
2-(1-methyl-5-phenylimidazol-2-yl)pyridine
CID 53243377
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
2-[(1Z)-buta-1,3-dienyl]-1-[(3Z)-1-(3,5-dipyridin-2-ylphenyl)hexa-1,3,5-trien-2-yl]-3-methylindol-5-amine
CID 144976741
(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82125481
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine?
The IUPAC name of 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine (CID 143627540) is 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine.
What is the SMILES notation for 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine?
The canonical SMILES for 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine is C=C/C=C\c1c(C)nc(-c2ccccn2)n1C.
What is the InChIKey of 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine?
The InChIKey is TXPZAXOZNRIFDJ-UITAMQMPSA-N. The full InChI is InChI=1S/C14H15N3/c1-4-5-9-13-11(2)16-14(17(13)3)12-8-6-7-10-15-12/h4-10H,1H2,2-3H3/b9-5-.
What are the key properties of 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine?
2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine has a molecular weight of 225.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1Z)-buta-1,3-dienyl]-1,4-dimethylimidazol-2-yl]pyridine is sourced from PubChem (CID 143627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).