2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

C14H15N3O2 — CID 117128228

IUPAC2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESNc1ccc(-c2cn3c(n2)CCCC3C(=O)O)cc1
InChIInChI=1S/C14H15N3O2/c15-10-6-4-9(5-7-10)11-8-17-12(14(18)19)2-1-3-13(17)16-11/h4-8,12H,1-3,15H2,(H,18,19)
InChIKeyWAANHQKVCVYUMA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117128228) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117128228
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESNc1ccc(-c2cn3c(n2)CCCC3C(=O)O)cc1
InChIInChI=1S/C14H15N3O2/c15-10-6-4-9(5-7-10)11-8-17-12(14(18)19)2-1-3-13(17)16-11/h4-8,12H,1-3,15H2,(H,18,19)
InChIKeyWAANHQKVCVYUMA-UHFFFAOYSA-N
XLogP2.09
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (CID 117128228) is 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is Nc1ccc(-c2cn3c(n2)CCCC3C(=O)O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is WAANHQKVCVYUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-10-6-4-9(5-7-10)11-8-17-12(14(18)19)2-1-3-13(17)16-11/h4-8,12H,1-3,15H2,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117128228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).