2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine

C14H18ClN3S — CID 114123296

IUPAC2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCSC1CCC(n2c(CCCl)nc3cccnc32)C1
InChIInChI=1S/C14H18ClN3S/c1-19-11-5-4-10(9-11)18-13(6-7-15)17-12-3-2-8-16-14(12)18/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyMYYNDUNFFGDNES-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine (PubChem CID 114123296) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine
PubChem CID114123296
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCSC1CCC(n2c(CCCl)nc3cccnc32)C1
InChIInChI=1S/C14H18ClN3S/c1-19-11-5-4-10(9-11)18-13(6-7-15)17-12-3-2-8-16-14(12)18/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyMYYNDUNFFGDNES-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine (CID 114123296) is 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine is CSC1CCC(n2c(CCCl)nc3cccnc32)C1.
What is the InChIKey of 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine?
The InChIKey is MYYNDUNFFGDNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-19-11-5-4-10(9-11)18-13(6-7-15)17-12-3-2-8-16-14(12)18/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine has a molecular weight of 295.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 114123296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).