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

C14H19BrN4 — CID 107079661

IUPAC3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C14H19BrN4/c1-17-6-4-7-18(10-9-17)14-12(11-15)19-8-3-2-5-13(19)16-14/h2-3,5,8H,4,6-7,9-11H2,1H3
InChIKeyZHVNGZBZAJZDKE-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.37
Rot. Bonds2

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

3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine (PubChem CID 107079661) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
PubChem CID107079661
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C14H19BrN4/c1-17-6-4-7-18(10-9-17)14-12(11-15)19-8-3-2-5-13(19)16-14/h2-3,5,8H,4,6-7,9-11H2,1H3
InChIKeyZHVNGZBZAJZDKE-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'}

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Related Compounds

3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107083876
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
N-[[2-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 43478186
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-2-methyl-1,4-oxazepane
CID 107082957
3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080810
[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478216
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 43584737

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine (CID 107079661) is 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine is CN1CCCN(c2nc3ccccn3c2CBr)CC1.
What is the InChIKey of 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is ZHVNGZBZAJZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-17-6-4-7-18(10-9-17)14-12(11-15)19-8-3-2-5-13(19)16-14/h2-3,5,8H,4,6-7,9-11H2,1H3.
What are the key properties of 3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-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-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107079661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).