1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine

C21H25N5 — CID 75470884

IUPAC1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine
SMILESCn1ccnc1CN1CCN(Cc2cccc(-c3cccnc3)c2)CC1
InChIInChI=1S/C21H25N5/c1-24-9-8-23-21(24)17-26-12-10-25(11-13-26)16-18-4-2-5-19(14-18)20-6-3-7-22-15-20/h2-9,14-15H,10-13,16-17H2,1H3
InChIKeyPLIGUQLFYQXKKN-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.80
Rot. Bonds5

About 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine

1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine (PubChem CID 75470884) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine
PubChem CID75470884
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine
SMILESCn1ccnc1CN1CCN(Cc2cccc(-c3cccnc3)c2)CC1
InChIInChI=1S/C21H25N5/c1-24-9-8-23-21(24)17-26-12-10-25(11-13-26)16-18-4-2-5-19(14-18)20-6-3-7-22-15-20/h2-9,14-15H,10-13,16-17H2,1H3
InChIKeyPLIGUQLFYQXKKN-UHFFFAOYSA-N
XLogP2.80
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine (CID 75470884) is 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine is Cn1ccnc1CN1CCN(Cc2cccc(-c3cccnc3)c2)CC1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine?
The InChIKey is PLIGUQLFYQXKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-24-9-8-23-21(24)17-26-12-10-25(11-13-26)16-18-4-2-5-19(14-18)20-6-3-7-22-15-20/h2-9,14-15H,10-13,16-17H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine?
1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine has a molecular weight of 347.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine is sourced from PubChem (CID 75470884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).