6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine

C16H15BrClN3 — CID 79278416

IUPAC6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
SMILESCC(C)c1ccccc1-n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C16H15BrClN3/c1-10(2)12-5-3-4-6-14(12)21-15(8-18)20-13-7-11(17)9-19-16(13)21/h3-7,9-10H,8H2,1-2H3
InChIKeyKWKWUUPQWNABOI-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.05
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79278416) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
PubChem CID79278416
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
SMILESCC(C)c1ccccc1-n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C16H15BrClN3/c1-10(2)12-5-3-4-6-14(12)21-15(8-18)20-13-7-11(17)9-19-16(13)21/h3-7,9-10H,8H2,1-2H3
InChIKeyKWKWUUPQWNABOI-UHFFFAOYSA-N
XLogP5.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.05
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-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
CID 79301964
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638
6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107614160
2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
CID 43660844
6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278809
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
CID 79301892
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine (CID 79278416) is 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine is CC(C)c1ccccc1-n1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is KWKWUUPQWNABOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-10(2)12-5-3-4-6-14(12)21-15(8-18)20-13-7-11(17)9-19-16(13)21/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 5.05, 3 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-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79278416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).