[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate

C19H19N3O2 — CID 1477717

IUPAC[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate
SMILESCC(=NOC(=O)c1ccc(C)cc1)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C19H19N3O2/c1-12-5-7-16(8-6-12)19(23)24-21-15(4)18-14(3)20-17-11-13(2)9-10-22(17)18/h5-11H,1-4H3
InChIKeyFBTJDSATSRILPD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.84
Rot. Bonds3

About [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate

[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate (PubChem CID 1477717) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate.

Molecular Properties

Compound Name[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate
PubChem CID1477717
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate
SMILESCC(=NOC(=O)c1ccc(C)cc1)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C19H19N3O2/c1-12-5-7-16(8-6-12)19(23)24-21-15(4)18-14(3)20-17-11-13(2)9-10-22(17)18/h5-11H,1-4H3
InChIKeyFBTJDSATSRILPD-UHFFFAOYSA-N
XLogP3.84
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate?
The IUPAC name of [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate (CID 1477717) is [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate.
What is the SMILES notation for [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate?
The canonical SMILES for [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate is CC(=NOC(=O)c1ccc(C)cc1)c1c(C)nc2cc(C)ccn12.
What is the InChIKey of [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate?
The InChIKey is FBTJDSATSRILPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-5-7-16(8-6-12)19(23)24-21-15(4)18-14(3)20-17-11-13(2)9-10-22(17)18/h5-11H,1-4H3.
What are the key properties of [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate?
[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate has a molecular weight of 321.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate is sourced from PubChem (CID 1477717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).