2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone

C20H21N5O — CID 167352501

IUPAC2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1cnc(-c2ccccc2)c1-c1ccncc1)N1CCNCC1
InChIInChI=1S/C20H21N5O/c26-18(24-12-10-22-11-13-24)14-25-15-23-19(16-4-2-1-3-5-16)20(25)17-6-8-21-9-7-17/h1-9,15,22H,10-14H2
InChIKeyNRBUBUJVRFZKSR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.04
Rot. Bonds4

About 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone

2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone (PubChem CID 167352501) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
PubChem CID167352501
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1cnc(-c2ccccc2)c1-c1ccncc1)N1CCNCC1
InChIInChI=1S/C20H21N5O/c26-18(24-12-10-22-11-13-24)14-25-15-23-19(16-4-2-1-3-5-16)20(25)17-6-8-21-9-7-17/h1-9,15,22H,10-14H2
InChIKeyNRBUBUJVRFZKSR-UHFFFAOYSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone (CID 167352501) is 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone is O=C(Cn1cnc(-c2ccccc2)c1-c1ccncc1)N1CCNCC1.
What is the InChIKey of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is NRBUBUJVRFZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-18(24-12-10-22-11-13-24)14-25-15-23-19(16-4-2-1-3-5-16)20(25)17-6-8-21-9-7-17/h1-9,15,22H,10-14H2.
What are the key properties of 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone?
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 347.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 167352501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).