2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile

C15H17N5 — CID 84742980

IUPAC2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESN#CC(c1cnc[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17N5/c16-10-15(14-11-17-12-18-14)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h1-5,11-12,15H,6-9H2,(H,17,18)
InChIKeyOPLZUXRNQSJDEH-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.80
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile

2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (PubChem CID 84742980) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
PubChem CID84742980
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESN#CC(c1cnc[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17N5/c16-10-15(14-11-17-12-18-14)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h1-5,11-12,15H,6-9H2,(H,17,18)
InChIKeyOPLZUXRNQSJDEH-UHFFFAOYSA-N
XLogP1.80
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile 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 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (CID 84742980) is 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is N#CC(c1cnc[nH]1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The InChIKey is OPLZUXRNQSJDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-10-15(14-11-17-12-18-14)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h1-5,11-12,15H,6-9H2,(H,17,18).
What are the key properties of 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84742980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).