2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one

C11H12BrN3O — CID 67435790

IUPAC2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCC(C)=CCn1c(Br)nc2cc[nH]c(=O)c21
InChIInChI=1S/C11H12BrN3O/c1-7(2)4-6-15-9-8(14-11(15)12)3-5-13-10(9)16/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyQVOSUCXTEDGDFQ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.45
Rot. Bonds2

About 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one

2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 67435790) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID67435790
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCC(C)=CCn1c(Br)nc2cc[nH]c(=O)c21
InChIInChI=1S/C11H12BrN3O/c1-7(2)4-6-15-9-8(14-11(15)12)3-5-13-10(9)16/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyQVOSUCXTEDGDFQ-UHFFFAOYSA-N
XLogP2.45
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 67435790) is 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one is CC(C)=CCn1c(Br)nc2cc[nH]c(=O)c21.
What is the InChIKey of 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is QVOSUCXTEDGDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7(2)4-6-15-9-8(14-11(15)12)3-5-13-10(9)16/h3-5H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one?
2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 282.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-methylbut-2-enyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 67435790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).