3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine

C16H16N6 — CID 155492202

IUPAC3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine
SMILESCCn1cnc(Cn2ccnc2-c2cnc3ccccn23)c1
InChIInChI=1S/C16H16N6/c1-2-20-10-13(19-12-20)11-21-8-6-17-16(21)14-9-18-15-5-3-4-7-22(14)15/h3-10,12H,2,11H2,1H3
InChIKeyXJARRBMXKNYVPZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.46
Rot. Bonds4

About 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine

3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine (PubChem CID 155492202) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine
PubChem CID155492202
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine
SMILESCCn1cnc(Cn2ccnc2-c2cnc3ccccn23)c1
InChIInChI=1S/C16H16N6/c1-2-20-10-13(19-12-20)11-21-8-6-17-16(21)14-9-18-15-5-3-4-7-22(14)15/h3-10,12H,2,11H2,1H3
InChIKeyXJARRBMXKNYVPZ-UHFFFAOYSA-N
XLogP2.46
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole
CID 154820768
acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole
CID 163334431
5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid
CID 155939309
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole
CID 79787310
3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 123574015
5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
CID 135306253
3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine
CID 157186738
1-[(1-ethylimidazol-4-yl)methyl]piperidine
CID 117191782
2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine
CID 56870178
7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
CID 135306264
1-ethyl-3-(1-ethylimidazol-2-yl)indole
CID 110540406

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine (CID 155492202) is 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine is CCn1cnc(Cn2ccnc2-c2cnc3ccccn23)c1.
What is the InChIKey of 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is XJARRBMXKNYVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-20-10-13(19-12-20)11-21-8-6-17-16(21)14-9-18-15-5-3-4-7-22(14)15/h3-10,12H,2,11H2,1H3.
What are the key properties of 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine?
3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 292.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155492202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).