2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile

C17H21N5 — CID 84743937

IUPAC2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESCc1c(C(C#N)N2CCN(c3ccccc3)CC2)ncn1C
InChIInChI=1S/C17H21N5/c1-14-17(19-13-20(14)2)16(12-18)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,13,16H,8-11H2,1-2H3
InChIKeyAHYYOFHIJGDALF-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.12
Rot. Bonds3

About 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile

2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (PubChem CID 84743937) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
PubChem CID84743937
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESCc1c(C(C#N)N2CCN(c3ccccc3)CC2)ncn1C
InChIInChI=1S/C17H21N5/c1-14-17(19-13-20(14)2)16(12-18)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,13,16H,8-11H2,1-2H3
InChIKeyAHYYOFHIJGDALF-UHFFFAOYSA-N
XLogP2.12
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (CID 84743937) is 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is Cc1c(C(C#N)N2CCN(c3ccccc3)CC2)ncn1C.
What is the InChIKey of 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The InChIKey is AHYYOFHIJGDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-14-17(19-13-20(14)2)16(12-18)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,13,16H,8-11H2,1-2H3.
What are the key properties of 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile has a molecular weight of 295.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84743937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).