2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C21H23ClN4O2 — CID 134011300

IUPAC2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1cc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc2c1OCCO2
InChIInChI=1S/C21H23ClN4O2/c22-18-11-16(12-19-21(18)28-10-9-27-19)13-24-5-7-25(8-6-24)14-17-15-26-4-2-1-3-20(26)23-17/h1-4,11-12,15H,5-10,13-14H2
InChIKeySGQIHBXQIUCMNB-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.08
Rot. Bonds4

About 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 134011300) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID134011300
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1cc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc2c1OCCO2
InChIInChI=1S/C21H23ClN4O2/c22-18-11-16(12-19-21(18)28-10-9-27-19)13-24-5-7-25(8-6-24)14-17-15-26-4-2-1-3-20(26)23-17/h1-4,11-12,15H,5-10,13-14H2
InChIKeySGQIHBXQIUCMNB-UHFFFAOYSA-N
XLogP3.08
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]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

2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 71899891
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11516033
2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 86915603
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 42889667
4-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]phenol
CID 9027604
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 4701931
3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998247
2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011249
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 134011300) is 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is Clc1cc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc2c1OCCO2.
What is the InChIKey of 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is SGQIHBXQIUCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-18-11-16(12-19-21(18)28-10-9-27-19)13-24-5-7-25(8-6-24)14-17-15-26-4-2-1-3-20(26)23-17/h1-4,11-12,15H,5-10,13-14H2.
What are the key properties of 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 398.89 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 134011300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).