2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine

C16H22ClN3O — CID 115322925

IUPAC2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3(C)CCCCC3)c2n1
InChIInChI=1S/C16H22ClN3O/c1-16(9-4-3-5-10-16)20-13(8-11-17)18-12-6-7-14(21-2)19-15(12)20/h6-7H,3-5,8-11H2,1-2H3
InChIKeyGYGJFFPSCZZXFT-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 115322925) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID115322925
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3(C)CCCCC3)c2n1
InChIInChI=1S/C16H22ClN3O/c1-16(9-4-3-5-10-16)20-13(8-11-17)18-12-6-7-14(21-2)19-15(12)20/h6-7H,3-5,8-11H2,1-2H3
InChIKeyGYGJFFPSCZZXFT-UHFFFAOYSA-N
XLogP3.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine (CID 115322925) is 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine is COc1ccc2nc(CCCl)n(C3(C)CCCCC3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is GYGJFFPSCZZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-16(9-4-3-5-10-16)20-13(8-11-17)18-12-6-7-14(21-2)19-15(12)20/h6-7H,3-5,8-11H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 307.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 115322925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).