4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile

C17H21N5 — CID 51260467

IUPAC4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCn1ccnc1CN1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H21N5/c1-20-7-6-19-17(20)14-22-10-8-21(9-11-22)13-16-4-2-15(12-18)3-5-16/h2-7H,8-11,13-14H2,1H3
InChIKeyVMKMPJACUZKEDS-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.61
Rot. Bonds4

About 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile

4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile (PubChem CID 51260467) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
PubChem CID51260467
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCn1ccnc1CN1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H21N5/c1-20-7-6-19-17(20)14-22-10-8-21(9-11-22)13-16-4-2-15(12-18)3-5-16/h2-7H,8-11,13-14H2,1H3
InChIKeyVMKMPJACUZKEDS-UHFFFAOYSA-N
XLogP1.61
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile (CID 51260467) is 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile is Cn1ccnc1CN1CCN(Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The InChIKey is VMKMPJACUZKEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-20-7-6-19-17(20)14-22-10-8-21(9-11-22)13-16-4-2-15(12-18)3-5-16/h2-7H,8-11,13-14H2,1H3.
What are the key properties of 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile has a molecular weight of 295.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 51260467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).