6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine

C16H21BrClN3 — CID 79278792

IUPAC6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCC1CCC(n2c(CCCl)nc3cc(Br)cnc32)CC1
InChIInChI=1S/C16H21BrClN3/c1-2-11-3-5-13(6-4-11)21-15(7-8-18)20-14-9-12(17)10-19-16(14)21/h9-11,13H,2-8H2,1H3
InChIKeyBKYBARGFBQFZDK-UHFFFAOYSA-N
MW370.72 g/mol
LogP5.12
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 79278792) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID79278792
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCCC1CCC(n2c(CCCl)nc3cc(Br)cnc32)CC1
InChIInChI=1S/C16H21BrClN3/c1-2-11-3-5-13(6-4-11)21-15(7-8-18)20-14-9-12(17)10-19-16(14)21/h9-11,13H,2-8H2,1H3
InChIKeyBKYBARGFBQFZDK-UHFFFAOYSA-N
XLogP5.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.72
LogP ≤ 55.12
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 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine (CID 79278792) is 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine is CCC1CCC(n2c(CCCl)nc3cc(Br)cnc32)CC1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is BKYBARGFBQFZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3/c1-2-11-3-5-13(6-4-11)21-15(7-8-18)20-14-9-12(17)10-19-16(14)21/h9-11,13H,2-8H2,1H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 370.72 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79278792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).