6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine

C19H18N2 — CID 167089405

IUPAC6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine
SMILESC/C=C/C=C/c1cccc(-c2ccc3nccn3c2)c1C
InChIInChI=1S/C19H18N2/c1-3-4-5-7-16-8-6-9-18(15(16)2)17-10-11-19-20-12-13-21(19)14-17/h3-14H,1-2H3/b4-3+,7-5+
InChIKeyKNBFJSQIOWKNKR-BDWKERMESA-N
MW274.37 g/mol
LogP4.90
Rot. Bonds3

About 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine

6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 167089405) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID167089405
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine
SMILESC/C=C/C=C/c1cccc(-c2ccc3nccn3c2)c1C
InChIInChI=1S/C19H18N2/c1-3-4-5-7-16-8-6-9-18(15(16)2)17-10-11-19-20-12-13-21(19)14-17/h3-14H,1-2H3/b4-3+,7-5+
InChIKeyKNBFJSQIOWKNKR-BDWKERMESA-N
XLogP4.90
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(3-imidazo[1,2-a]pyridin-6-yl-2-methylphenyl)ethenyl]-4-methylbenzaldehyde
CID 159622560
2-imidazo[1,2-a]pyridin-6-yl-N,N-dimethylaniline
CID 122418001
6-(2-chloro-3-pyridinyl)imidazo[1,2-a]pyridine
CID 86715478
6-dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
3-(3-imidazo[1,2-a]pyridin-6-yl-2-pyridinyl)-N-methylsulfanylaniline
CID 144943671
azane;(3S)-5-imidazo[1,2-a]pyridin-6-yl-3,4-dihydro-2H-chromen-3-amine
CID 68764787
6-(5-pyridin-2-yl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 23537380
6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 23629220
3-[(1Z,3Z)-penta-1,3-dienyl]-1-phenylpyrrolo[3,2-b]pyridine
CID 118081911
ethane;6-propan-2-ylimidazo[1,2-a]pyridine
CID 145229849
3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile
CID 163795945
6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
CID 150218840

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine (CID 167089405) is 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine is C/C=C/C=C/c1cccc(-c2ccc3nccn3c2)c1C.
What is the InChIKey of 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is KNBFJSQIOWKNKR-BDWKERMESA-N. The full InChI is InChI=1S/C19H18N2/c1-3-4-5-7-16-8-6-9-18(15(16)2)17-10-11-19-20-12-13-21(19)14-17/h3-14H,1-2H3/b4-3+,7-5+.
What are the key properties of 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine?
6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 274.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-3-[(1E,3E)-penta-1,3-dienyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 167089405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).