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

C15H15ClN4 — CID 79292511

IUPAC2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1C(C)c1ccncc1
InChIInChI=1S/C15H15ClN4/c1-10(16)15-19-13-9-18-8-5-14(13)20(15)11(2)12-3-6-17-7-4-12/h3-11H,1-2H3
InChIKeyYLOCBUJMANWLHX-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.74
Rot. Bonds3

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

2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine (PubChem CID 79292511) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
PubChem CID79292511
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1C(C)c1ccncc1
InChIInChI=1S/C15H15ClN4/c1-10(16)15-19-13-9-18-8-5-14(13)20(15)11(2)12-3-6-17-7-4-12/h3-11H,1-2H3
InChIKeyYLOCBUJMANWLHX-UHFFFAOYSA-N
XLogP3.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667577
2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
CID 104829127
6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 115471085
6-bromo-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 65344800
2-(1-chloroethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-c]pyridine
CID 79274266
2-(1-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)imidazo[4,5-c]pyridine
CID 113477873
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362122
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
CID 83018634

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine (CID 79292511) is 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine is CC(Cl)c1nc2cnccc2n1C(C)c1ccncc1.
What is the InChIKey of 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine?
The InChIKey is YLOCBUJMANWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10(16)15-19-13-9-18-8-5-14(13)20(15)11(2)12-3-6-17-7-4-12/h3-11H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine has a molecular weight of 286.77 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).