2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile

C15H17N5O — CID 63640507

IUPAC2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CC(=O)N1CCNCC1
InChIInChI=1S/C15H17N5O/c16-6-5-14-18-12-3-1-2-4-13(12)20(14)11-15(21)19-9-7-17-8-10-19/h1-4,17H,5,7-11H2
InChIKeyBFYHDKXIBNLMAU-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.53
Rot. Bonds3

About 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile

2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile (PubChem CID 63640507) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile
PubChem CID63640507
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CC(=O)N1CCNCC1
InChIInChI=1S/C15H17N5O/c16-6-5-14-18-12-3-1-2-4-13(12)20(14)11-15(21)19-9-7-17-8-10-19/h1-4,17H,5,7-11H2
InChIKeyBFYHDKXIBNLMAU-UHFFFAOYSA-N
XLogP0.53
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119400771
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63640680
2-[1-(2-chloroacetyl)benzimidazol-2-yl]acetonitrile
CID 603560
2-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478
2-[1-(4-bromobutanoyl)benzimidazol-2-yl]acetonitrile
CID 593758
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 42536578
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile (CID 63640507) is 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1CC(=O)N1CCNCC1.
What is the InChIKey of 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile?
The InChIKey is BFYHDKXIBNLMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-6-5-14-18-12-3-1-2-4-13(12)20(14)11-15(21)19-9-7-17-8-10-19/h1-4,17H,5,7-11H2.
What are the key properties of 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile?
2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile has a molecular weight of 283.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63640507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).