1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine

C13H12N4 — CID 54098498

IUPAC1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccccc1-n1c(N)nc2ncccc21
InChIInChI=1S/C13H12N4/c1-9-5-2-3-6-10(9)17-11-7-4-8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKeyMYWBTRXXLVYEOG-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.31
Rot. Bonds1

About 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine

1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 54098498) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID54098498
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccccc1-n1c(N)nc2ncccc21
InChIInChI=1S/C13H12N4/c1-9-5-2-3-6-10(9)17-11-7-4-8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKeyMYWBTRXXLVYEOG-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine (CID 54098498) is 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine is Cc1ccccc1-n1c(N)nc2ncccc21.
What is the InChIKey of 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is MYWBTRXXLVYEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-5-2-3-6-10(9)17-11-7-4-8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16).
What are the key properties of 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 54098498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).