2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine

C17H19N5 — CID 122183047

IUPAC2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2nc3ncccn3c2CN2CCNCC2)cc1
InChIInChI=1S/C17H19N5/c1-2-5-14(6-3-1)16-15(13-21-11-8-18-9-12-21)22-10-4-7-19-17(22)20-16/h1-7,10,18H,8-9,11-13H2
InChIKeyBKNAIFAUTYEYMM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.80
Rot. Bonds3

About 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine

2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122183047) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID122183047
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2nc3ncccn3c2CN2CCNCC2)cc1
InChIInChI=1S/C17H19N5/c1-2-5-14(6-3-1)16-15(13-21-11-8-18-9-12-21)22-10-4-7-19-17(22)20-16/h1-7,10,18H,8-9,11-13H2
InChIKeyBKNAIFAUTYEYMM-UHFFFAOYSA-N
XLogP1.80
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine (CID 122183047) is 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine is c1ccc(-c2nc3ncccn3c2CN2CCNCC2)cc1.
What is the InChIKey of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is BKNAIFAUTYEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-5-14(6-3-1)16-15(13-21-11-8-18-9-12-21)22-10-4-7-19-17(22)20-16/h1-7,10,18H,8-9,11-13H2.
What are the key properties of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).