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

C14H14ClN3S — CID 79292021

IUPAC2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
SMILESCC(c1cccs1)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C14H14ClN3S/c1-10(13-3-2-8-19-13)18-12-5-7-16-9-11(12)17-14(18)4-6-15/h2-3,5,7-10H,4,6H2,1H3
InChIKeyNDSZJDZCMZZISA-UHFFFAOYSA-N
MW291.81 g/mol
LogP3.88
Rot. Bonds4

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

2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine (PubChem CID 79292021) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
PubChem CID79292021
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
SMILESCC(c1cccs1)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C14H14ClN3S/c1-10(13-3-2-8-19-13)18-12-5-7-16-9-11(12)17-14(18)4-6-15/h2-3,5,7-10H,4,6H2,1H3
InChIKeyNDSZJDZCMZZISA-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 53.88
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)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine (CID 79292021) is 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine is CC(c1cccs1)n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine?
The InChIKey is NDSZJDZCMZZISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-10(13-3-2-8-19-13)18-12-5-7-16-9-11(12)17-14(18)4-6-15/h2-3,5,7-10H,4,6H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine has a molecular weight of 291.81 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).