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

C19H21N5O — CID 177381589

IUPAC1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(CC(=O)c3cnc4ncccn34)CC2)cc1
InChIInChI=1S/C19H21N5O/c1-15-3-5-16(6-4-15)23-11-9-22(10-12-23)14-18(25)17-13-21-19-20-7-2-8-24(17)19/h2-8,13H,9-12,14H2,1H3
InChIKeyKNLZQFQAXUUUMT-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.04
Rot. Bonds4

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

1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 177381589) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
PubChem CID177381589
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(CC(=O)c3cnc4ncccn34)CC2)cc1
InChIInChI=1S/C19H21N5O/c1-15-3-5-16(6-4-15)23-11-9-22(10-12-23)14-18(25)17-13-21-19-20-7-2-8-24(17)19/h2-8,13H,9-12,14H2,1H3
InChIKeyKNLZQFQAXUUUMT-UHFFFAOYSA-N
XLogP2.04
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone (CID 177381589) is 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone is Cc1ccc(N2CCN(CC(=O)c3cnc4ncccn34)CC2)cc1.
What is the InChIKey of 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is KNLZQFQAXUUUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-3-5-16(6-4-15)23-11-9-22(10-12-23)14-18(25)17-13-21-19-20-7-2-8-24(17)19/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrimidin-3-yl-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 177381589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).