[(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride

C18H18ClN3O — CID 135439551

IUPAC[(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride
SMILESCCOC(=[NH2+])/C=C/c1ccc(-c2cn3ccccc3n2)cc1.[Cl-]
InChIInChI=1S/C18H17N3O.ClH/c1-2-22-17(19)11-8-14-6-9-15(10-7-14)16-13-21-12-4-3-5-18(21)20-16;/h3-13,19H,2H2,1H3;1H/b11-8+,19-17?;
InChIKeyPQWLCFGERPCAGK-SXAMJEAXSA-N
MW327.82 g/mol
LogP-0.79
Rot. Bonds4

About [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride

[(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride (PubChem CID 135439551) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride.

Molecular Properties

Compound Name[(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride
PubChem CID135439551
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name[(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride
SMILESCCOC(=[NH2+])/C=C/c1ccc(-c2cn3ccccc3n2)cc1.[Cl-]
InChIInChI=1S/C18H17N3O.ClH/c1-2-22-17(19)11-8-14-6-9-15(10-7-14)16-13-21-12-4-3-5-18(21)20-16;/h3-13,19H,2H2,1H3;1H/b11-8+,19-17?;
InChIKeyPQWLCFGERPCAGK-SXAMJEAXSA-N
XLogP-0.79
TPSA52.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride
CID 135406530
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
4-imidazo[1,2-a]pyridin-2-ylbenzaldehyde
CID 820963
4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile
CID 54611473
2-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]-4,5-dihydro-1,3-thiazole
CID 852426
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 45134937
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 19234119
2-(4-methylphenyl)-7-[2-(4-phenylphenyl)ethenyl]imidazo[1,2-a]pyridine
CID 91506531
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enamide
CID 122283426
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
CID 141122443

Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride?
The IUPAC name of [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride (CID 135439551) is [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride.
What is the SMILES notation for [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride?
The canonical SMILES for [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride is CCOC(=[NH2+])/C=C/c1ccc(-c2cn3ccccc3n2)cc1.[Cl-].
What is the InChIKey of [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride?
The InChIKey is PQWLCFGERPCAGK-SXAMJEAXSA-N. The full InChI is InChI=1S/C18H17N3O.ClH/c1-2-22-17(19)11-8-14-6-9-15(10-7-14)16-13-21-12-4-3-5-18(21)20-16;/h3-13,19H,2H2,1H3;1H/b11-8+,19-17?;.
What are the key properties of [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride?
[(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride has a molecular weight of 327.82 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride is sourced from PubChem (CID 135439551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).