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

C18H16N3O2- — CID 138111234

IUPAC2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate
SMILESC/C(=N\c1ccccc1C(=O)[O-])c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C18H17N3O2/c1-11-8-9-21-16(10-11)20-13(3)17(21)12(2)19-15-7-5-4-6-14(15)18(22)23/h4-10H,1-3H3,(H,22,23)/p-1/b19-12+
InChIKeyVTQQZTHDGXPLEE-XDHOZWIPSA-M
MW306.35 g/mol
LogP2.46
Rot. Bonds3

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

2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate (PubChem CID 138111234) has the molecular formula C18H16N3O2- and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate.

Molecular Properties

Compound Name2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate
PubChem CID138111234
Molecular FormulaC18H16N3O2-
Molecular Weight306.35 g/mol
Exact Mass306.12
IUPAC Name2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate
SMILESC/C(=N\c1ccccc1C(=O)[O-])c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C18H17N3O2/c1-11-8-9-21-16(10-11)20-13(3)17(21)12(2)19-15-7-5-4-6-14(15)18(22)23/h4-10H,1-3H3,(H,22,23)/p-1/b19-12+
InChIKeyVTQQZTHDGXPLEE-XDHOZWIPSA-M
XLogP2.46
TPSA69.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino] 4-methylbenzoate
CID 1477717
N'-acetyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 2814534
2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 126022665
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 39186456
7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355529
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
3-benzoyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 134119925
N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 42796821
1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 115018892
2,7-dimethyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134140165
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 119062037
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2-diphenylacetamide
CID 16799381

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate?
The IUPAC name of 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate (CID 138111234) is 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate.
What is the SMILES notation for 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate?
The canonical SMILES for 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate is C/C(=N\c1ccccc1C(=O)[O-])c1c(C)nc2cc(C)ccn12.
What is the InChIKey of 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate?
The InChIKey is VTQQZTHDGXPLEE-XDHOZWIPSA-M. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-9-21-16(10-11)20-13(3)17(21)12(2)19-15-7-5-4-6-14(15)18(22)23/h4-10H,1-3H3,(H,22,23)/p-1/b19-12+.
What are the key properties of 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate?
2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate has a molecular weight of 306.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate is sourced from PubChem (CID 138111234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).