2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C30H24Cl4N8 — CID 122183057

IUPAC2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Cl)cc4Cl)nc4ncccn34)CC2)c(Cl)c1
InChIInChI=1S/C30H24Cl4N8/c31-19-3-5-21(23(33)15-19)27-25(41-9-1-7-35-29(41)37-27)17-39-11-13-40(14-12-39)18-26-28(22-6-4-20(32)16-24(22)34)38-30-36-8-2-10-42(26)30/h1-10,15-16H,11-14,17-18H2
InChIKeyDXCAJPPOEISECA-UHFFFAOYSA-N
MW638.39 g/mol
LogP7.04
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122183057) has the molecular formula C30H24Cl4N8 and a molecular weight of 638.39 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID122183057
Molecular FormulaC30H24Cl4N8
Molecular Weight638.39 g/mol
Exact Mass636.09
IUPAC Name2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Cl)cc4Cl)nc4ncccn34)CC2)c(Cl)c1
InChIInChI=1S/C30H24Cl4N8/c31-19-3-5-21(23(33)15-19)27-25(41-9-1-7-35-29(41)37-27)17-39-11-13-40(14-12-39)18-26-28(22-6-4-20(32)16-24(22)34)38-30-36-8-2-10-42(26)30/h1-10,15-16H,11-14,17-18H2
InChIKeyDXCAJPPOEISECA-UHFFFAOYSA-N
XLogP7.04
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.39
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190877
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190878
(2-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744107
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745380
(4-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24745529
2-(2,6-dichlorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 68234726
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]purine
CID 135156440
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]purine
CID 145987281
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-9H-purine
CID 25190879
2-(4-Chlorophenyl)imidazo[1,2-a]pyrimidine
CID 697292
6-Chloro-2-(4-chlorophenyl)-3-(piperidinomethyl)imidazo[1,2-a]pyridine
CID 4586136
13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11212921

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 122183057) is 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Clc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Cl)cc4Cl)nc4ncccn34)CC2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is DXCAJPPOEISECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl4N8/c31-19-3-5-21(23(33)15-19)27-25(41-9-1-7-35-29(41)37-27)17-39-11-13-40(14-12-39)18-26-28(22-6-4-20(32)16-24(22)34)38-30-36-8-2-10-42(26)30/h1-10,15-16H,11-14,17-18H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 638.39 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).