2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile

C13H12N4O2 — CID 63638420

IUPAC2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CC1CNC(=O)O1
InChIInChI=1S/C13H12N4O2/c14-6-5-12-16-10-3-1-2-4-11(10)17(12)8-9-7-15-13(18)19-9/h1-4,9H,5,7-8H2,(H,15,18)
InChIKeyQCCFIVYDQCECAB-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.21
Rot. Bonds3

About 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile

2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile (PubChem CID 63638420) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile
PubChem CID63638420
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CC1CNC(=O)O1
InChIInChI=1S/C13H12N4O2/c14-6-5-12-16-10-3-1-2-4-11(10)17(12)8-9-7-15-13(18)19-9/h1-4,9H,5,7-8H2,(H,15,18)
InChIKeyQCCFIVYDQCECAB-UHFFFAOYSA-N
XLogP1.21
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benomyl
CID 28780
Cypendazole
CID 34280
2-[(1-Methyl-1h-Benzimidazol-2-Yl)methyl]-6-Morpholin-4-Ylpyrimidin-4(3h)-One
CID 135566644
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 4877945
Rhc 3288
CID 132880
3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
CID 15956494
3-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
CID 23551420
3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
CID 23551426
3-[2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile
CID 23551435
Ethyl 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazole-1-carboxylate
CID 23551526
3-[2-[2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]ethyl]-4H-1,2,4-oxadiazol-5-one
CID 135814807
2-[(1-ethyl-1H-benzimidazol-2-yl)methyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 136041773

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile (CID 63638420) is 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1CC1CNC(=O)O1.
What is the InChIKey of 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is QCCFIVYDQCECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-6-5-12-16-10-3-1-2-4-11(10)17(12)8-9-7-15-13(18)19-9/h1-4,9H,5,7-8H2,(H,15,18).
What are the key properties of 2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile?
2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 256.26 g/mol, XLogP of 1.21, 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-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63638420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).