3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one

C14H19N3O2 — CID 117407626

IUPAC3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one
SMILESCNCC(O)c1ccc(-n2c(C)cn(C)c2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-10-9-16(3)14(19)17(10)12-6-4-11(5-7-12)13(18)8-15-2/h4-7,9,13,15,18H,8H2,1-3H3
InChIKeyMDRNQWHOCYMCDQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.74
Rot. Bonds4

About 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one

3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one (PubChem CID 117407626) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one
PubChem CID117407626
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one
SMILESCNCC(O)c1ccc(-n2c(C)cn(C)c2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-10-9-16(3)14(19)17(10)12-6-4-11(5-7-12)13(18)8-15-2/h4-7,9,13,15,18H,8H2,1-3H3
InChIKeyMDRNQWHOCYMCDQ-UHFFFAOYSA-N
XLogP0.74
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one (CID 117407626) is 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one is CNCC(O)c1ccc(-n2c(C)cn(C)c2=O)cc1.
What is the InChIKey of 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one?
The InChIKey is MDRNQWHOCYMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-9-16(3)14(19)17(10)12-6-4-11(5-7-12)13(18)8-15-2/h4-7,9,13,15,18H,8H2,1-3H3.
What are the key properties of 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one?
3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 117407626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).