2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine

C16H24ClN3 — CID 79293898

IUPAC2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(C)CC(C)n1c(C(C)Cl)nc2c(C)ccnc21
InChIInChI=1S/C16H24ClN3/c1-6-10(2)9-12(4)20-15(13(5)17)19-14-11(3)7-8-18-16(14)20/h7-8,10,12-13H,6,9H2,1-5H3
InChIKeyRGTQJEWXFOJSHA-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.04
Rot. Bonds5

About 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79293898) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79293898
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(C)CC(C)n1c(C(C)Cl)nc2c(C)ccnc21
InChIInChI=1S/C16H24ClN3/c1-6-10(2)9-12(4)20-15(13(5)17)19-14-11(3)7-8-18-16(14)20/h7-8,10,12-13H,6,9H2,1-5H3
InChIKeyRGTQJEWXFOJSHA-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.04
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 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine (CID 79293898) is 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine is CCC(C)CC(C)n1c(C(C)Cl)nc2c(C)ccnc21.
What is the InChIKey of 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is RGTQJEWXFOJSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-6-10(2)9-12(4)20-15(13(5)17)19-14-11(3)7-8-18-16(14)20/h7-8,10,12-13H,6,9H2,1-5H3.
What are the key properties of 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 293.84 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).