1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine

C16H15BrClN3 — CID 79274986

IUPAC1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
SMILESCc1cc(Br)cc(C)c1-n1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C16H15BrClN3/c1-9-6-12(17)7-10(2)15(9)21-14-4-5-19-8-13(14)20-16(21)11(3)18/h4-8,11H,1-3H3
InChIKeyNXWZOXHQQVWMSJ-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.10
Rot. Bonds2

About 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine

1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine (PubChem CID 79274986) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
PubChem CID79274986
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
SMILESCc1cc(Br)cc(C)c1-n1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C16H15BrClN3/c1-9-6-12(17)7-10(2)15(9)21-14-4-5-19-8-13(14)20-16(21)11(3)18/h4-8,11H,1-3H3
InChIKeyNXWZOXHQQVWMSJ-UHFFFAOYSA-N
XLogP5.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine (CID 79274986) is 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine is Cc1cc(Br)cc(C)c1-n1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
The InChIKey is NXWZOXHQQVWMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-9-6-12(17)7-10(2)15(9)21-14-4-5-19-8-13(14)20-16(21)11(3)18/h4-8,11H,1-3H3.
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine has a molecular weight of 364.67 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79274986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).