2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine

C15H14ClN3 — CID 79292852

IUPAC2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(CCl)nc3cnccc32)c(C)c1
InChIInChI=1S/C15H14ClN3/c1-10-3-4-13(11(2)7-10)19-14-5-6-17-9-12(14)18-15(19)8-16/h3-7,9H,8H2,1-2H3
InChIKeyMHFRYBOODNDMMW-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.78
Rot. Bonds2

About 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine (PubChem CID 79292852) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
PubChem CID79292852
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(CCl)nc3cnccc32)c(C)c1
InChIInChI=1S/C15H14ClN3/c1-10-3-4-13(11(2)7-10)19-14-5-6-17-9-12(14)18-15(19)8-16/h3-7,9H,8H2,1-2H3
InChIKeyMHFRYBOODNDMMW-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine (CID 79292852) is 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine is Cc1ccc(-n2c(CCl)nc3cnccc32)c(C)c1.
What is the InChIKey of 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is MHFRYBOODNDMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-3-4-13(11(2)7-10)19-14-5-6-17-9-12(14)18-15(19)8-16/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 271.75 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).