ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine

C14H18N2 — CID 145017956

IUPACethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine
SMILESC=C=C(C)Cc1cnc2ccccn12.CC
InChIInChI=1S/C12H12N2.C2H6/c1-3-10(2)8-11-9-13-12-6-4-5-7-14(11)12;1-2/h4-7,9H,1,8H2,2H3;1-2H3
InChIKeyOILMMVQGLATNAE-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.63
Rot. Bonds2

About ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine

ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine (PubChem CID 145017956) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine
PubChem CID145017956
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Nameethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine
SMILESC=C=C(C)Cc1cnc2ccccn12.CC
InChIInChI=1S/C12H12N2.C2H6/c1-3-10(2)8-11-9-13-12-6-4-5-7-14(11)12;1-2/h4-7,9H,1,8H2,2H3;1-2H3
InChIKeyOILMMVQGLATNAE-UHFFFAOYSA-N
XLogP3.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
CID 145017960
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
CID 14602276
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
CID 56870795
hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium
CID 159914387
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine?
The IUPAC name of ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine (CID 145017956) is ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine?
The canonical SMILES for ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine is C=C=C(C)Cc1cnc2ccccn12.CC.
What is the InChIKey of ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine?
The InChIKey is OILMMVQGLATNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C2H6/c1-3-10(2)8-11-9-13-12-6-4-5-7-14(11)12;1-2/h4-7,9H,1,8H2,2H3;1-2H3.
What are the key properties of ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine?
ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine has a molecular weight of 214.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145017956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).