3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine

C13H13ClN4 — CID 62350046

IUPAC3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine
SMILESCc1ncn(-c2nc3ccccn3c2CCl)c1C
InChIInChI=1S/C13H13ClN4/c1-9-10(2)18(8-15-9)13-11(7-14)17-6-4-3-5-12(17)16-13/h3-6,8H,7H2,1-2H3
InChIKeyAQBAOMJEBWSNDV-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.88
Rot. Bonds2

About 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine

3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine (PubChem CID 62350046) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine
PubChem CID62350046
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine
SMILESCc1ncn(-c2nc3ccccn3c2CCl)c1C
InChIInChI=1S/C13H13ClN4/c1-9-10(2)18(8-15-9)13-11(7-14)17-6-4-3-5-12(17)16-13/h3-6,8H,7H2,1-2H3
InChIKeyAQBAOMJEBWSNDV-UHFFFAOYSA-N
XLogP2.88
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.88
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 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine (CID 62350046) is 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine is Cc1ncn(-c2nc3ccccn3c2CCl)c1C.
What is the InChIKey of 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is AQBAOMJEBWSNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c1-9-10(2)18(8-15-9)13-11(7-14)17-6-4-3-5-12(17)16-13/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 260.73 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 62350046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).