7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine

C13H15Cl2N3 — CID 114286247

IUPAC7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine
SMILESCC1CC(n2c(CCCl)nc3cncc(Cl)c32)C1
InChIInChI=1S/C13H15Cl2N3/c1-8-4-9(5-8)18-12(2-3-14)17-11-7-16-6-10(15)13(11)18/h6-9H,2-5H2,1H3
InChIKeyRRSVOVCPPLUZJZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.84
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine

7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine (PubChem CID 114286247) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine
PubChem CID114286247
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine
SMILESCC1CC(n2c(CCCl)nc3cncc(Cl)c32)C1
InChIInChI=1S/C13H15Cl2N3/c1-8-4-9(5-8)18-12(2-3-14)17-11-7-16-6-10(15)13(11)18/h6-9H,2-5H2,1H3
InChIKeyRRSVOVCPPLUZJZ-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.84
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

7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667498
2-(2-chloroethyl)-5-iodo-1-(3-methylcyclobutyl)benzimidazole
CID 113467350
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113467325
7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
CID 114286238
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202
6-bromo-2-(2-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548562
7-chloro-2-(chloromethyl)-1-(1-cyclobutylethyl)imidazo[4,5-c]pyridine
CID 114286257
2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
CID 43666622
5-bromo-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667494
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole
CID 83008067

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine (CID 114286247) is 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine is CC1CC(n2c(CCCl)nc3cncc(Cl)c32)C1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine?
The InChIKey is RRSVOVCPPLUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8-4-9(5-8)18-12(2-3-14)17-11-7-16-6-10(15)13(11)18/h6-9H,2-5H2,1H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine?
7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine has a molecular weight of 284.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 114286247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).