3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one

C16H20N4O2 — CID 126705571

IUPAC3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one
SMILESNc1nc2cc(N3CCCOC3=O)ccc2n1C1CCCC1
InChIInChI=1S/C16H20N4O2/c17-15-18-13-10-12(19-8-3-9-22-16(19)21)6-7-14(13)20(15)11-4-1-2-5-11/h6-7,10-11H,1-5,8-9H2,(H2,17,18)
InChIKeyABVUXNJJTIXJBO-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.08
Rot. Bonds2

About 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one

3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one (PubChem CID 126705571) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one
PubChem CID126705571
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one
SMILESNc1nc2cc(N3CCCOC3=O)ccc2n1C1CCCC1
InChIInChI=1S/C16H20N4O2/c17-15-18-13-10-12(19-8-3-9-22-16(19)21)6-7-14(13)20(15)11-4-1-2-5-11/h6-7,10-11H,1-5,8-9H2,(H2,17,18)
InChIKeyABVUXNJJTIXJBO-UHFFFAOYSA-N
XLogP3.08
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one (CID 126705571) is 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one is Nc1nc2cc(N3CCCOC3=O)ccc2n1C1CCCC1.
What is the InChIKey of 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one?
The InChIKey is ABVUXNJJTIXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15-18-13-10-12(19-8-3-9-22-16(19)21)6-7-14(13)20(15)11-4-1-2-5-11/h6-7,10-11H,1-5,8-9H2,(H2,17,18).
What are the key properties of 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one?
3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one has a molecular weight of 300.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 126705571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).