5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one

C15H20N2O4 — CID 167822885

IUPAC5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(OCC3(O)CCOCC3)ccc21
InChIInChI=1S/C15H20N2O4/c1-16-12-4-3-11(9-13(12)17(2)14(16)18)21-10-15(19)5-7-20-8-6-15/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyOQZYJLSFRUOWBW-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.80
Rot. Bonds3

About 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one

5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one (PubChem CID 167822885) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one
PubChem CID167822885
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(OCC3(O)CCOCC3)ccc21
InChIInChI=1S/C15H20N2O4/c1-16-12-4-3-11(9-13(12)17(2)14(16)18)21-10-15(19)5-7-20-8-6-15/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyOQZYJLSFRUOWBW-UHFFFAOYSA-N
XLogP0.80
TPSA65.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one (CID 167822885) is 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(OCC3(O)CCOCC3)ccc21.
What is the InChIKey of 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is OQZYJLSFRUOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-12-4-3-11(9-13(12)17(2)14(16)18)21-10-15(19)5-7-20-8-6-15/h3-4,9,19H,5-8,10H2,1-2H3.
What are the key properties of 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one?
5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 292.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 167822885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).