1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine

C19H21N5 — CID 2812861

IUPAC1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)[nH]2)cc1
InChIInChI=1S/C19H21N5/c1-2-6-16(7-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2,(H,21,22)
InChIKeyRGUPPVFDUJOBQL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.79
Rot. Bonds4

About 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 2812861) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID2812861
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)[nH]2)cc1
InChIInChI=1S/C19H21N5/c1-2-6-16(7-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2,(H,21,22)
InChIKeyRGUPPVFDUJOBQL-UHFFFAOYSA-N
XLogP2.79
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine (CID 2812861) is 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine is c1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)[nH]2)cc1.
What is the InChIKey of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is RGUPPVFDUJOBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-6-16(7-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2,(H,21,22).
What are the key properties of 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 319.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2812861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).