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

C16H17ClN4 — CID 106760331

IUPAC2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H17ClN4/c1-20(2)14-5-3-4-6-15(14)21-13-8-10-18-11-12(13)19-16(21)7-9-17/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyYJQYGKZVVCNTMI-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.27
Rot. Bonds4

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

2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline (PubChem CID 106760331) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
PubChem CID106760331
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C16H17ClN4/c1-20(2)14-5-3-4-6-15(14)21-13-8-10-18-11-12(13)19-16(21)7-9-17/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyYJQYGKZVVCNTMI-UHFFFAOYSA-N
XLogP3.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.27
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

2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
CID 79292778
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79291868
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 107637663
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
CID 106760326
2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292154
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292367
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
CID 106330443
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline (CID 106760331) is 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline is CN(C)c1ccccc1-n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
The InChIKey is YJQYGKZVVCNTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-20(2)14-5-3-4-6-15(14)21-13-8-10-18-11-12(13)19-16(21)7-9-17/h3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline?
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline has a molecular weight of 300.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 106760331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).