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

C14H20ClN3O2 — CID 115322941

IUPAC2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCOCC(C)Cn1c(C(C)Cl)nc2ccc(OC)nc21
InChIInChI=1S/C14H20ClN3O2/c1-9(8-19-3)7-18-13(10(2)15)16-11-5-6-12(20-4)17-14(11)18/h5-6,9-10H,7-8H2,1-4H3
InChIKeyUBHKEIHMYLPSKV-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.02
Rot. Bonds6

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

2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine (PubChem CID 115322941) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
PubChem CID115322941
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCOCC(C)Cn1c(C(C)Cl)nc2ccc(OC)nc21
InChIInChI=1S/C14H20ClN3O2/c1-9(8-19-3)7-18-13(10(2)15)16-11-5-6-12(20-4)17-14(11)18/h5-6,9-10H,7-8H2,1-4H3
InChIKeyUBHKEIHMYLPSKV-UHFFFAOYSA-N
XLogP3.02
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 115322579
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
CID 106278723
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892
2-(1-chloroethyl)-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106432070
N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 115322999
5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407211
2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
CID 115322826
5-methoxy-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699356
2-(1-chloroethyl)-5-fluoro-1-(3-methoxy-2-methylpropyl)-6-methylbenzimidazole
CID 103593627
2-(1-chloroethyl)-3-(1-cyclopropylpropan-2-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323065

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine (CID 115322941) is 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine is COCC(C)Cn1c(C(C)Cl)nc2ccc(OC)nc21.
What is the InChIKey of 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is UBHKEIHMYLPSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(8-19-3)7-18-13(10(2)15)16-11-5-6-12(20-4)17-14(11)18/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 297.79 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 115322941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).