2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid

C18H16N4O3 — CID 126022665

IUPAC2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccn2c(C(=O)N/N=C\c3ccccc3C(=O)O)c(C)nc2c1
InChIInChI=1S/C18H16N4O3/c1-11-7-8-22-15(9-11)20-12(2)16(22)17(23)21-19-10-13-5-3-4-6-14(13)18(24)25/h3-10H,1-2H3,(H,21,23)(H,24,25)/b19-10-
InChIKeyUKTXZDDMFYGBLS-GRSHGNNSSA-N
MW336.35 g/mol
LogP2.41
Rot. Bonds4

About 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid

2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 126022665) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
PubChem CID126022665
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccn2c(C(=O)N/N=C\c3ccccc3C(=O)O)c(C)nc2c1
InChIInChI=1S/C18H16N4O3/c1-11-7-8-22-15(9-11)20-12(2)16(22)17(23)21-19-10-13-5-3-4-6-14(13)18(24)25/h3-10H,1-2H3,(H,21,23)(H,24,25)/b19-10-
InChIKeyUKTXZDDMFYGBLS-GRSHGNNSSA-N
XLogP2.41
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009877
N-[(3-methoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 2813616
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 135455103
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
2-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6890868
N'-acetyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 2814534
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 39186456
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82032865
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
2,7-dimethyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134140165
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6181482

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid (CID 126022665) is 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid is Cc1ccn2c(C(=O)N/N=C\c3ccccc3C(=O)O)c(C)nc2c1.
What is the InChIKey of 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is UKTXZDDMFYGBLS-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-7-8-22-15(9-11)20-12(2)16(22)17(23)21-19-10-13-5-3-4-6-14(13)18(24)25/h3-10H,1-2H3,(H,21,23)(H,24,25)/b19-10-.
What are the key properties of 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 336.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 126022665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).