3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine

C14H19BrN4 — CID 107083505

IUPAC3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2nc3ccccn3c2CBr)CCN1C
InChIInChI=1S/C14H19BrN4/c1-11-10-18(8-7-17(11)2)14-12(9-15)19-6-4-3-5-13(19)16-14/h3-6,11H,7-10H2,1-2H3
InChIKeyMQWOTNNZXCOTAT-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.37
Rot. Bonds2

About 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 107083505) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID107083505
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2nc3ccccn3c2CBr)CCN1C
InChIInChI=1S/C14H19BrN4/c1-11-10-18(8-7-17(11)2)14-12(9-15)19-6-4-3-5-13(19)16-14/h3-6,11H,7-10H2,1-2H3
InChIKeyMQWOTNNZXCOTAT-UHFFFAOYSA-N
XLogP2.37
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine 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-(chloromethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 55217934
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-2-methyl-1,4-oxazepane
CID 107082957
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 114237430
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 107081425
3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080186
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107083876
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylthiomorpholine
CID 107083855
3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 43584737
3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080810

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 107083505) is 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine is CC1CN(c2nc3ccccn3c2CBr)CCN1C.
What is the InChIKey of 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is MQWOTNNZXCOTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-11-10-18(8-7-17(11)2)14-12(9-15)19-6-4-3-5-13(19)16-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 323.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107083505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).