2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine

C13H18ClN3O — CID 79291828

IUPAC2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
SMILESCOCCCCn1c(CCCl)nc2cnccc21
InChIInChI=1S/C13H18ClN3O/c1-18-9-3-2-8-17-12-5-7-15-10-11(12)16-13(17)4-6-14/h5,7,10H,2-4,6,8-9H2,1H3
InChIKeyGUMPUCHTRQUPSB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.64
Rot. Bonds7

About 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine (PubChem CID 79291828) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
PubChem CID79291828
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
SMILESCOCCCCn1c(CCCl)nc2cnccc21
InChIInChI=1S/C13H18ClN3O/c1-18-9-3-2-8-17-12-5-7-15-10-11(12)16-13(17)4-6-14/h5,7,10H,2-4,6,8-9H2,1H3
InChIKeyGUMPUCHTRQUPSB-UHFFFAOYSA-N
XLogP2.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(2-chloroethyl)-5-fluoro-1-(4-methoxybutyl)-6-methylbenzimidazole
CID 103593579
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 79291879
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
2-(2-chloroethyl)-6,7-difluoro-1-(4-methoxybutyl)benzimidazole
CID 62532053
2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292245
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79291836

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine (CID 79291828) is 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine is COCCCCn1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine?
The InChIKey is GUMPUCHTRQUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-18-9-3-2-8-17-12-5-7-15-10-11(12)16-13(17)4-6-14/h5,7,10H,2-4,6,8-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine has a molecular weight of 267.76 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79291828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).