2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine

C20H21ClN4 — CID 134203654

IUPAC2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccccn3c2CN2CC3CCC2CN3)cc1
InChIInChI=1S/C20H21ClN4/c21-15-6-4-14(5-7-15)20-18(25-10-2-1-3-19(25)23-20)13-24-12-16-8-9-17(24)11-22-16/h1-7,10,16-17,22H,8-9,11-13H2
InChIKeyNRMOQOVPHMLWNH-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.59
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine

2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 134203654) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID134203654
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccccn3c2CN2CC3CCC2CN3)cc1
InChIInChI=1S/C20H21ClN4/c21-15-6-4-14(5-7-15)20-18(25-10-2-1-3-19(25)23-20)13-24-12-16-8-9-17(24)11-22-16/h1-7,10,16-17,22H,8-9,11-13H2
InChIKeyNRMOQOVPHMLWNH-UHFFFAOYSA-N
XLogP3.59
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine
CID 137362129
tert-butyl 5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 134203440
N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203626
5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
CID 148555864
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 134203608
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-cyclohexyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203756
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-cyclohexylmethanone
CID 134203833
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone
CID 163785356
7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 134203633
5-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carbaldehyde
CID 134203461

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine (CID 134203654) is 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine is Clc1ccc(-c2nc3ccccn3c2CN2CC3CCC2CN3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is NRMOQOVPHMLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c21-15-6-4-14(5-7-15)20-18(25-10-2-1-3-19(25)23-20)13-24-12-16-8-9-17(24)11-22-16/h1-7,10,16-17,22H,8-9,11-13H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 352.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134203654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).