butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate

C19H21N3O2 — CID 78815706

IUPACbutyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
SMILESCCCCOC(=O)c1ccc(NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-3-12-24-19(23)15-7-9-16(10-8-15)20-13-17-14-22-11-5-4-6-18(22)21-17/h4-11,14,20H,2-3,12-13H2,1H3
InChIKeyKNJIBZVIDGJTOU-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.90
Rot. Bonds7

About butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate

butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate (PubChem CID 78815706) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate.

Molecular Properties

Compound Namebutyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
PubChem CID78815706
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Namebutyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
SMILESCCCCOC(=O)c1ccc(NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-3-12-24-19(23)15-7-9-16(10-8-15)20-13-17-14-22-11-5-4-6-18(22)21-17/h4-11,14,20H,2-3,12-13H2,1H3
InChIKeyKNJIBZVIDGJTOU-UHFFFAOYSA-N
XLogP3.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804
propyl 4-[(6-bromo-2-pyridinyl)methylamino]benzoate
CID 115937833
(111C)butyl benzoate
CID 11994383
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
N-(1-aminohexan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119664981
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
2-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-1-amine
CID 114941119

Frequently Asked Questions

What is the IUPAC name of butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate?
The IUPAC name of butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate (CID 78815706) is butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate.
What is the SMILES notation for butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate?
The canonical SMILES for butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate is CCCCOC(=O)c1ccc(NCc2cn3ccccc3n2)cc1.
What is the InChIKey of butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate?
The InChIKey is KNJIBZVIDGJTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-3-12-24-19(23)15-7-9-16(10-8-15)20-13-17-14-22-11-5-4-6-18(22)21-17/h4-11,14,20H,2-3,12-13H2,1H3.
What are the key properties of butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate?
butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate has a molecular weight of 323.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate is sourced from PubChem (CID 78815706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).