2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile

C14H22BrN5 — CID 84745183

IUPAC2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
SMILESCc1nc(Br)c(C(C#N)N2CCN(C(C)C)CC2)n1C
InChIInChI=1S/C14H22BrN5/c1-10(2)19-5-7-20(8-6-19)12(9-16)13-14(15)17-11(3)18(13)4/h10,12H,5-8H2,1-4H3
InChIKeyGNWRMSBXCZGVET-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.08
Rot. Bonds3

About 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile

2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile (PubChem CID 84745183) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
PubChem CID84745183
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC Name2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
SMILESCc1nc(Br)c(C(C#N)N2CCN(C(C)C)CC2)n1C
InChIInChI=1S/C14H22BrN5/c1-10(2)19-5-7-20(8-6-19)12(9-16)13-14(15)17-11(3)18(13)4/h10,12H,5-8H2,1-4H3
InChIKeyGNWRMSBXCZGVET-UHFFFAOYSA-N
XLogP2.08
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile (CID 84745183) is 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile is Cc1nc(Br)c(C(C#N)N2CCN(C(C)C)CC2)n1C.
What is the InChIKey of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The InChIKey is GNWRMSBXCZGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-10(2)19-5-7-20(8-6-19)12(9-16)13-14(15)17-11(3)18(13)4/h10,12H,5-8H2,1-4H3.
What are the key properties of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile has a molecular weight of 340.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84745183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).