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

C30H28N8 — CID 122183050

IUPAC2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1
InChIInChI=1S/C30H28N8/c1-3-9-23(10-4-1)27-25(37-15-7-13-31-29(37)33-27)21-35-17-19-36(20-18-35)22-26-28(24-11-5-2-6-12-24)34-30-32-14-8-16-38(26)30/h1-16H,17-22H2
InChIKeyHHTSLCNMLHJGLA-UHFFFAOYSA-N
MW500.61 g/mol
LogP4.42
Rot. Bonds6

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

2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122183050) has the molecular formula C30H28N8 and a molecular weight of 500.61 g/mol. Its IUPAC name is 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID122183050
Molecular FormulaC30H28N8
Molecular Weight500.61 g/mol
Exact Mass500.24
IUPAC Name2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1
InChIInChI=1S/C30H28N8/c1-3-9-23(10-4-1)27-25(37-15-7-13-31-29(37)33-27)21-35-17-19-36(20-18-35)22-26-28(24-11-5-2-6-12-24)34-30-32-14-8-16-38(26)30/h1-16H,17-22H2
InChIKeyHHTSLCNMLHJGLA-UHFFFAOYSA-N
XLogP4.42
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 122183050) is 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is c1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1.
What is the InChIKey of 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is HHTSLCNMLHJGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8/c1-3-9-23(10-4-1)27-25(37-15-7-13-31-29(37)33-27)21-35-17-19-36(20-18-35)22-26-28(24-11-5-2-6-12-24)34-30-32-14-8-16-38(26)30/h1-16H,17-22H2.
What are the key properties of 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 500.61 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).