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

C14H20ClN3 — CID 81135457

IUPAC2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(C)(C)n1c(C(C)Cl)nc2ccc(C)nc21
InChIInChI=1S/C14H20ClN3/c1-6-14(4,5)18-12(10(3)15)17-11-8-7-9(2)16-13(11)18/h7-8,10H,6H2,1-5H3
InChIKeyKRLGYKZLCSYYNQ-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.18
Rot. Bonds3

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

2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 81135457) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine
PubChem CID81135457
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(C)(C)n1c(C(C)Cl)nc2ccc(C)nc21
InChIInChI=1S/C14H20ClN3/c1-6-14(4,5)18-12(10(3)15)17-11-8-7-9(2)16-13(11)18/h7-8,10H,6H2,1-5H3
InChIKeyKRLGYKZLCSYYNQ-UHFFFAOYSA-N
XLogP4.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridine
CID 81135595
2-(1-chloroethyl)-5-methyl-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 81135454
2-(1-chloroethyl)-5-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521108
2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine
CID 81136319
2-(1-chloroethyl)-5,6-dimethoxy-1-(2-methylbutan-2-yl)benzimidazole
CID 83003669
2-(1-chloroethyl)-5-methyl-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
CID 114109042
4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 81135612
2-(1-chloroethyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 81135521
2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136372
methyl 3-[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 81136308
2-(1-chloroethyl)-5-methyl-3-(1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 81141255
2-(1-chloroethyl)-5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 81135529

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine (CID 81135457) is 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine is CCC(C)(C)n1c(C(C)Cl)nc2ccc(C)nc21.
What is the InChIKey of 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is KRLGYKZLCSYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-6-14(4,5)18-12(10(3)15)17-11-8-7-9(2)16-13(11)18/h7-8,10H,6H2,1-5H3.
What are the key properties of 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 265.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81135457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).