6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine

C15H15BrN4 — CID 79306425

IUPAC6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccccc1C(C)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C15H15BrN4/c1-9-5-3-4-6-12(9)10(2)20-14-13(19-15(20)17)7-11(16)8-18-14/h3-8,10H,1-2H3,(H2,17,19)
InChIKeyVAESIEZPBFOZDM-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.69
Rot. Bonds2

About 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine

6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306425) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79306425
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccccc1C(C)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C15H15BrN4/c1-9-5-3-4-6-12(9)10(2)20-14-13(19-15(20)17)7-11(16)8-18-14/h3-8,10H,1-2H3,(H2,17,19)
InChIKeyVAESIEZPBFOZDM-UHFFFAOYSA-N
XLogP3.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine (CID 79306425) is 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine is Cc1ccccc1C(C)n1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is VAESIEZPBFOZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-9-5-3-4-6-12(9)10(2)20-14-13(19-15(20)17)7-11(16)8-18-14/h3-8,10H,1-2H3,(H2,17,19).
What are the key properties of 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 331.22 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).