2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline

C16H17ClN4 — CID 106760332

IUPAC2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
SMILESCc1ccnc2c1nc(CCl)n2-c1ccccc1N(C)C
InChIInChI=1S/C16H17ClN4/c1-11-8-9-18-16-15(11)19-14(10-17)21(16)13-7-5-4-6-12(13)20(2)3/h4-9H,10H2,1-3H3
InChIKeyGBXNXLGRYCWMSB-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.53
Rot. Bonds3

About 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline

2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline (PubChem CID 106760332) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
PubChem CID106760332
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
SMILESCc1ccnc2c1nc(CCl)n2-c1ccccc1N(C)C
InChIInChI=1S/C16H17ClN4/c1-11-8-9-18-16-15(11)19-14(10-17)21(16)13-7-5-4-6-12(13)20(2)3/h4-9H,10H2,1-3H3
InChIKeyGBXNXLGRYCWMSB-UHFFFAOYSA-N
XLogP3.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline (CID 106760332) is 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline is Cc1ccnc2c1nc(CCl)n2-c1ccccc1N(C)C.
What is the InChIKey of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline?
The InChIKey is GBXNXLGRYCWMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-11-8-9-18-16-15(11)19-14(10-17)21(16)13-7-5-4-6-12(13)20(2)3/h4-9H,10H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline?
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline has a molecular weight of 300.79 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 106760332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).