2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine

C20H22ClN5 — CID 137362129

IUPAC2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2nc3ncccn3c2CN2CC3CCC2CCN3)cc1
InChIInChI=1S/C20H22ClN5/c21-15-4-2-14(3-5-15)19-18(26-11-1-9-23-20(26)24-19)13-25-12-16-6-7-17(25)8-10-22-16/h1-5,9,11,16-17,22H,6-8,10,12-13H2
InChIKeyXPCNIMYHTRFDFN-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine

2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 137362129) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID137362129
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2nc3ncccn3c2CN2CC3CCC2CCN3)cc1
InChIInChI=1S/C20H22ClN5/c21-15-4-2-14(3-5-15)19-18(26-11-1-9-23-20(26)24-19)13-25-12-16-6-7-17(25)8-10-22-16/h1-5,9,11,16-17,22H,6-8,10,12-13H2
InChIKeyXPCNIMYHTRFDFN-UHFFFAOYSA-N
XLogP3.38
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 134203654
3-[[5-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine
CID 166948577
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 147844744
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 95475392
3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142494523
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(2,6-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270962
2-(4-chlorophenyl)-3-[1-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl]imidazo[1,2-a]pyrimidine
CID 146462837
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-9-(cyclopentanecarbonyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863988
[5-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-cyclopentylmethanone
CID 137363748
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-[(2,6-difluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270938
1-[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 158299074

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine (CID 137362129) is 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine is Clc1ccc(-c2nc3ncccn3c2CN2CC3CCC2CCN3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is XPCNIMYHTRFDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c21-15-4-2-14(3-5-15)19-18(26-11-1-9-23-20(26)24-19)13-25-12-16-6-7-17(25)8-10-22-16/h1-5,9,11,16-17,22H,6-8,10,12-13H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine?
2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 367.88 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 137362129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).