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

C17H18ClN3 — CID 61411893

IUPAC3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine
SMILESCc1ccccc1CN(C)c1nc2ccccn2c1CCl
InChIInChI=1S/C17H18ClN3/c1-13-7-3-4-8-14(13)12-20(2)17-15(11-18)21-10-6-5-9-16(21)19-17/h3-10H,11-12H2,1-2H3
InChIKeyANUIEYNKVKAPIM-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.02
Rot. Bonds4

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

3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine (PubChem CID 61411893) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine
PubChem CID61411893
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine
SMILESCc1ccccc1CN(C)c1nc2ccccn2c1CCl
InChIInChI=1S/C17H18ClN3/c1-13-7-3-4-8-14(13)12-20(2)17-15(11-18)21-10-6-5-9-16(21)19-17/h3-10H,11-12H2,1-2H3
InChIKeyANUIEYNKVKAPIM-UHFFFAOYSA-N
XLogP4.02
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N,N-dimethylimidazo[1,2-a]pyridin-2-amine
CID 43478139
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865536
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 61412739
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 107080940
3-(chloromethyl)-N-cyclopropyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 43478225
3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611450
2-[[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]ethanol
CID 60961309
N'-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 55236385
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119
3-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylimidazo[1,2-a]pyridin-2-amine
CID 63786700
3-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 43528424

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine (CID 61411893) is 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine is Cc1ccccc1CN(C)c1nc2ccccn2c1CCl.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine?
The InChIKey is ANUIEYNKVKAPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-13-7-3-4-8-14(13)12-20(2)17-15(11-18)21-10-6-5-9-16(21)19-17/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine?
3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 61411893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).