3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline

C15H15ClN4 — CID 115378883

IUPAC3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-n2c(CCl)nc3cnccc32)c1
InChIInChI=1S/C15H15ClN4/c1-19(2)11-4-3-5-12(8-11)20-14-6-7-17-10-13(14)18-15(20)9-16/h3-8,10H,9H2,1-2H3
InChIKeyHDBFAMQURCDGFF-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.23
Rot. Bonds3

About 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline

3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline (PubChem CID 115378883) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
PubChem CID115378883
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-n2c(CCl)nc3cnccc32)c1
InChIInChI=1S/C15H15ClN4/c1-19(2)11-4-3-5-12(8-11)20-14-6-7-17-10-13(14)18-15(20)9-16/h3-8,10H,9H2,1-2H3
InChIKeyHDBFAMQURCDGFF-UHFFFAOYSA-N
XLogP3.23
TPSA33.95 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 ≤ 53.23
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

3-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylaniline
CID 115471786
1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 107614265
2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79292227
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112
2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292852
2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine
CID 104727625
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79291949
2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine
CID 79778523
5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
CID 79273482

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline (CID 115378883) is 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline is CN(C)c1cccc(-n2c(CCl)nc3cnccc32)c1.
What is the InChIKey of 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
The InChIKey is HDBFAMQURCDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-19(2)11-4-3-5-12(8-11)20-14-6-7-17-10-13(14)18-15(20)9-16/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline has a molecular weight of 286.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 115378883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).