3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine

C14H18ClN3O — CID 43611450

IUPAC3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCN(c1nc2ccccn2c1CCl)C1CCOCC1
InChIInChI=1S/C14H18ClN3O/c1-17(11-5-8-19-9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyKHINVZSYTIZBHQ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.69
Rot. Bonds3

About 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine

3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 43611450) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
PubChem CID43611450
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCN(c1nc2ccccn2c1CCl)C1CCOCC1
InChIInChI=1S/C14H18ClN3O/c1-17(11-5-8-19-9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyKHINVZSYTIZBHQ-UHFFFAOYSA-N
XLogP2.69
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611478
3-(chloromethyl)-N,N-dimethylimidazo[1,2-a]pyridin-2-amine
CID 43478139
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717
3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 43478225
3-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylimidazo[1,2-a]pyridin-2-amine
CID 63060182
N-cyclopropyl-N-methyl-3-[(2-methylpropylamino)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63060183
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
CID 107081480
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865536
3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61434192
3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 61411893
3-(2-aminoethyl)-N-methyl-N-(1-methylpiperidin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 63782587
2-[[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]cyclohexan-1-ol
CID 102633037

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine (CID 43611450) is 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine is CN(c1nc2ccccn2c1CCl)C1CCOCC1.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is KHINVZSYTIZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-17(11-5-8-19-9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine?
3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 279.77 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 43611450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).