imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate

C15H13N3O2 — CID 60655585

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H13N3O2/c16-12-6-4-11(5-7-12)15(19)20-10-13-9-18-8-2-1-3-14(18)17-13/h1-9H,10,16H2
InChIKeyPLINBCBRZWQQDS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.27
Rot. Bonds3

About imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate (PubChem CID 60655585) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
PubChem CID60655585
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H13N3O2/c16-12-6-4-11(5-7-12)15(19)20-10-13-9-18-8-2-1-3-14(18)17-13/h1-9H,10,16H2
InChIKeyPLINBCBRZWQQDS-UHFFFAOYSA-N
XLogP2.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
CID 7625039
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171273
imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 55372410
butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
CID 78815706
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
2-O-ethyl 4-O-(imidazo[1,2-a]pyridin-2-ylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7173028
ethyl 4-[[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoate
CID 18288936
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate (CID 60655585) is imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate is Nc1ccc(C(=O)OCc2cn3ccccc3n2)cc1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate?
The InChIKey is PLINBCBRZWQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-12-6-4-11(5-7-12)15(19)20-10-13-9-18-8-2-1-3-14(18)17-13/h1-9H,10,16H2.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate has a molecular weight of 267.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate is sourced from PubChem (CID 60655585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).