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

C32H32N8 — CID 122183060

IUPAC2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccccc1-c1nc2ncccn2c1CN1CCN(Cc2c(-c3ccccc3C)nc3ncccn23)CC1
InChIInChI=1S/C32H32N8/c1-23-9-3-5-11-25(23)29-27(39-15-7-13-33-31(39)35-29)21-37-17-19-38(20-18-37)22-28-30(26-12-6-4-10-24(26)2)36-32-34-14-8-16-40(28)32/h3-16H,17-22H2,1-2H3
InChIKeyAKIYKRHAZCIYFG-UHFFFAOYSA-N
MW528.66 g/mol
LogP5.04
Rot. Bonds6

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

2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122183060) has the molecular formula C32H32N8 and a molecular weight of 528.66 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID122183060
Molecular FormulaC32H32N8
Molecular Weight528.66 g/mol
Exact Mass528.27
IUPAC Name2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccccc1-c1nc2ncccn2c1CN1CCN(Cc2c(-c3ccccc3C)nc3ncccn23)CC1
InChIInChI=1S/C32H32N8/c1-23-9-3-5-11-25(23)29-27(39-15-7-13-33-31(39)35-29)21-37-17-19-38(20-18-37)22-28-30(26-12-6-4-10-24(26)2)36-32-34-14-8-16-40(28)32/h3-16H,17-22H2,1-2H3
InChIKeyAKIYKRHAZCIYFG-UHFFFAOYSA-N
XLogP5.04
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)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

Fazadinium Bromide
CID 6321422
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
3-(7-Methylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile
CID 9839679
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrimidin-7-ylamine
CID 9953203
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
2-(4-(7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-yl)benzonitrile
CID 10109460

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 122183060) is 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)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-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Cc1ccccc1-c1nc2ncccn2c1CN1CCN(Cc2c(-c3ccccc3C)nc3ncccn23)CC1.
What is the InChIKey of 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is AKIYKRHAZCIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8/c1-23-9-3-5-11-25(23)29-27(39-15-7-13-33-31(39)35-29)21-37-17-19-38(20-18-37)22-28-30(26-12-6-4-10-24(26)2)36-32-34-14-8-16-40(28)32/h3-16H,17-22H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 528.66 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).