1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one

C12H23N3O2 — CID 113317741

IUPAC1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one
SMILESCCn1ccn(CC(O)CNCC(C)C)c1=O
InChIInChI=1S/C12H23N3O2/c1-4-14-5-6-15(12(14)17)9-11(16)8-13-7-10(2)3/h5-6,10-11,13,16H,4,7-9H2,1-3H3
InChIKeyQTXLZZVXOFXCLH-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.28
Rot. Bonds7

About 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one

1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one (PubChem CID 113317741) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one
PubChem CID113317741
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one
SMILESCCn1ccn(CC(O)CNCC(C)C)c1=O
InChIInChI=1S/C12H23N3O2/c1-4-14-5-6-15(12(14)17)9-11(16)8-13-7-10(2)3/h5-6,10-11,13,16H,4,7-9H2,1-3H3
InChIKeyQTXLZZVXOFXCLH-UHFFFAOYSA-N
XLogP0.28
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one (CID 113317741) is 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one is CCn1ccn(CC(O)CNCC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one?
The InChIKey is QTXLZZVXOFXCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-14-5-6-15(12(14)17)9-11(16)8-13-7-10(2)3/h5-6,10-11,13,16H,4,7-9H2,1-3H3.
What are the key properties of 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one?
1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one is sourced from PubChem (CID 113317741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).