2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

C13H13N5 — CID 79821282

IUPAC2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(Cc3ccccc3N)nc2n1
InChIInChI=1S/C13H13N5/c14-9-4-2-1-3-8(9)7-12-16-10-5-6-11(15)17-13(10)18-12/h1-6H,7,14H2,(H3,15,16,17,18)
InChIKeyXSUKCJYVERTNGI-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.71
Rot. Bonds2

About 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821282) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821282
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(Cc3ccccc3N)nc2n1
InChIInChI=1S/C13H13N5/c14-9-4-2-1-3-8(9)7-12-16-10-5-6-11(15)17-13(10)18-12/h1-6H,7,14H2,(H3,15,16,17,18)
InChIKeyXSUKCJYVERTNGI-UHFFFAOYSA-N
XLogP1.71
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.71
H-Bond Donors ≤ 53
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-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821282) is 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(Cc3ccccc3N)nc2n1.
What is the InChIKey of 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is XSUKCJYVERTNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-9-4-2-1-3-8(9)7-12-16-10-5-6-11(15)17-13(10)18-12/h1-6H,7,14H2,(H3,15,16,17,18).
What are the key properties of 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 239.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).