6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine

C16H15BrClN3 — CID 79278809

IUPAC6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(Cc1ccccc1)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C16H15BrClN3/c1-11(7-12-5-3-2-4-6-12)21-15(9-18)20-14-8-13(17)10-19-16(14)21/h2-6,8,10-11H,7,9H2,1H3
InChIKeyBSBSNIZZKFOXOI-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.74
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79278809) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79278809
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(Cc1ccccc1)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C16H15BrClN3/c1-11(7-12-5-3-2-4-6-12)21-15(9-18)20-14-8-13(17)10-19-16(14)21/h2-6,8,10-11H,7,9H2,1H3
InChIKeyBSBSNIZZKFOXOI-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine
CID 79302058
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79302606
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79301967
3-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279285
6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79302460
6-bromo-2-(chloromethyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79302090
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79294519
6-bromo-2-(2-chloroethyl)-3-(1-imidazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278608
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine (CID 79278809) is 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine is CC(Cc1ccccc1)n1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is BSBSNIZZKFOXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-11(7-12-5-3-2-4-6-12)21-15(9-18)20-14-8-13(17)10-19-16(14)21/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79278809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).