2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine

C14H20ClN3O — CID 115322969

IUPAC2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
SMILESCCCCC(C)n1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C14H20ClN3O/c1-4-5-6-10(2)18-12(9-15)16-11-7-8-13(19-3)17-14(11)18/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLRROUJOEAVQWEF-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.93
Rot. Bonds6

About 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine

2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 115322969) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
PubChem CID115322969
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
SMILESCCCCC(C)n1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C14H20ClN3O/c1-4-5-6-10(2)18-12(9-15)16-11-7-8-13(19-3)17-14(11)18/h7-8,10H,4-6,9H2,1-3H3
InChIKeyLRROUJOEAVQWEF-UHFFFAOYSA-N
XLogP3.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-methoxy-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115323110
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
2-(chloromethyl)-5-methoxy-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115322835
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 115322847
2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 81135382
2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322851
7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 63545795
2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
CID 62200086
2-(chloromethyl)-3-heptan-2-ylbenzimidazole-5-carbonitrile
CID 104715530
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136366
2-(chloromethyl)-5-methoxy-3-(2-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323195

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine (CID 115322969) is 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine is CCCCC(C)n1c(CCl)nc2ccc(OC)nc21.
What is the InChIKey of 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is LRROUJOEAVQWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-4-5-6-10(2)18-12(9-15)16-11-7-8-13(19-3)17-14(11)18/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 281.79 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 115322969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).