1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine

C15H13BrClN3 — CID 107637663

IUPAC1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
SMILESCc1c(Br)cccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H13BrClN3/c1-10-11(16)3-2-4-13(10)20-14-6-8-18-9-12(14)19-15(20)5-7-17/h2-4,6,8-9H,5,7H2,1H3
InChIKeyZQZWYSDLTMMROM-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine

1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine (PubChem CID 107637663) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
PubChem CID107637663
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
SMILESCc1c(Br)cccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H13BrClN3/c1-10-11(16)3-2-4-13(10)20-14-6-8-18-9-12(14)19-15(20)5-7-17/h2-4,6,8-9H,5,7H2,1H3
InChIKeyZQZWYSDLTMMROM-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.27
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-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine (CID 107637663) is 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine is Cc1c(Br)cccc1-n1c(CCCl)nc2cnccc21.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The InChIKey is ZQZWYSDLTMMROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c1-10-11(16)3-2-4-13(10)20-14-6-8-18-9-12(14)19-15(20)5-7-17/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine has a molecular weight of 350.65 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 107637663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).