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

C16H19N5 — CID 84743499

IUPAC2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESCc1ncc(C(C#N)N2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C16H19N5/c1-13-18-12-15(19-13)16(11-17)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,12,16H,7-10H2,1H3,(H,18,19)
InChIKeyUUEBYFOMQLEUPC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.11
Rot. Bonds3

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

2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (PubChem CID 84743499) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
PubChem CID84743499
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESCc1ncc(C(C#N)N2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C16H19N5/c1-13-18-12-15(19-13)16(11-17)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,12,16H,7-10H2,1H3,(H,18,19)
InChIKeyUUEBYFOMQLEUPC-UHFFFAOYSA-N
XLogP2.11
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (CID 84743499) is 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is Cc1ncc(C(C#N)N2CCN(c3ccccc3)CC2)[nH]1.
What is the InChIKey of 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The InChIKey is UUEBYFOMQLEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-13-18-12-15(19-13)16(11-17)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,12,16H,7-10H2,1H3,(H,18,19).
What are the key properties of 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84743499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).