2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine

C11H15ClN4 — CID 79292139

IUPAC2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1c(CCl)nc2cnccc21
InChIInChI=1S/C11H15ClN4/c1-15(2)5-6-16-10-3-4-13-8-9(10)14-11(16)7-12/h3-4,8H,5-7H2,1-2H3
InChIKeyFZHMOUAHKQITJB-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine

2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 79292139) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID79292139
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1c(CCl)nc2cnccc21
InChIInChI=1S/C11H15ClN4/c1-15(2)5-6-16-10-3-4-13-8-9(10)14-11(16)7-12/h3-4,8H,5-7H2,1-2H3
InChIKeyFZHMOUAHKQITJB-UHFFFAOYSA-N
XLogP1.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.73
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-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine (CID 79292139) is 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1c(CCl)nc2cnccc21.
What is the InChIKey of 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is FZHMOUAHKQITJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-15(2)5-6-16-10-3-4-13-8-9(10)14-11(16)7-12/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine?
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 238.72 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 79292139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).