5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one

C12H14N4O2 — CID 82384510

IUPAC5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2cccc3[nH]cnc23)C(=O)O1
InChIInChI=1S/C12H14N4O2/c13-5-4-8-6-16(12(17)18-8)10-3-1-2-9-11(10)15-7-14-9/h1-3,7-8H,4-6,13H2,(H,14,15)
InChIKeyBESSZXUFHNPNNQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.24
Rot. Bonds3

About 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one

5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one (PubChem CID 82384510) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one
PubChem CID82384510
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2cccc3[nH]cnc23)C(=O)O1
InChIInChI=1S/C12H14N4O2/c13-5-4-8-6-16(12(17)18-8)10-3-1-2-9-11(10)15-7-14-9/h1-3,7-8H,4-6,13H2,(H,14,15)
InChIKeyBESSZXUFHNPNNQ-UHFFFAOYSA-N
XLogP1.24
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one (CID 82384510) is 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one is NCCC1CN(c2cccc3[nH]cnc23)C(=O)O1.
What is the InChIKey of 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is BESSZXUFHNPNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-5-4-8-6-16(12(17)18-8)10-3-1-2-9-11(10)15-7-14-9/h1-3,7-8H,4-6,13H2,(H,14,15).
What are the key properties of 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one?
5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82384510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).