5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one

C11H15N3O2 — CID 115773533

IUPAC5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnc3c2CCCC3)O1
InChIInChI=1S/C11H15N3O2/c15-11-12-5-8(16-11)6-14-7-13-9-3-1-2-4-10(9)14/h7-8H,1-6H2,(H,12,15)
InChIKeyJQGRXIIEIHRSRS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds2

About 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one

5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 115773533) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID115773533
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cnc3c2CCCC3)O1
InChIInChI=1S/C11H15N3O2/c15-11-12-5-8(16-11)6-14-7-13-9-3-1-2-4-10(9)14/h7-8H,1-6H2,(H,12,15)
InChIKeyJQGRXIIEIHRSRS-UHFFFAOYSA-N
XLogP0.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 115773533) is 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1NCC(Cn2cnc3c2CCCC3)O1.
What is the InChIKey of 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is JQGRXIIEIHRSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-12-5-8(16-11)6-14-7-13-9-3-1-2-4-10(9)14/h7-8H,1-6H2,(H,12,15).
What are the key properties of 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115773533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).