2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine

C13H16N4 — CID 117128426

IUPAC2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
SMILESNc1cccc(-c2cn3c(n2)CC(N)CC3)c1
InChIInChI=1S/C13H16N4/c14-10-3-1-2-9(6-10)12-8-17-5-4-11(15)7-13(17)16-12/h1-3,6,8,11H,4-5,7,14-15H2
InChIKeyNCLXJAHAJIMEBJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.41
Rot. Bonds1

About 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine

2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine (PubChem CID 117128426) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
PubChem CID117128426
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
SMILESNc1cccc(-c2cn3c(n2)CC(N)CC3)c1
InChIInChI=1S/C13H16N4/c14-10-3-1-2-9(6-10)12-8-17-5-4-11(15)7-13(17)16-12/h1-3,6,8,11H,4-5,7,14-15H2
InChIKeyNCLXJAHAJIMEBJ-UHFFFAOYSA-N
XLogP1.41
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.41
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-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The IUPAC name of 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine (CID 117128426) is 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine is Nc1cccc(-c2cn3c(n2)CC(N)CC3)c1.
What is the InChIKey of 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The InChIKey is NCLXJAHAJIMEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-10-3-1-2-9(6-10)12-8-17-5-4-11(15)7-13(17)16-12/h1-3,6,8,11H,4-5,7,14-15H2.
What are the key properties of 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine has a molecular weight of 228.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 117128426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).