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

C11H21N3O2 — CID 80581874

IUPAC1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
SMILESCCn1ccn(CC(O)CNC(C)C)c1=O
InChIInChI=1S/C11H21N3O2/c1-4-13-5-6-14(11(13)16)8-10(15)7-12-9(2)3/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyGEHQQTJXVWWJQP-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.03
Rot. Bonds6

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

1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one (PubChem CID 80581874) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
PubChem CID80581874
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
SMILESCCn1ccn(CC(O)CNC(C)C)c1=O
InChIInChI=1S/C11H21N3O2/c1-4-13-5-6-14(11(13)16)8-10(15)7-12-9(2)3/h5-6,9-10,12,15H,4,7-8H2,1-3H3
InChIKeyGEHQQTJXVWWJQP-UHFFFAOYSA-N
XLogP0.03
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.03
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-(propan-2-ylamino)propyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one (CID 80581874) is 1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one is CCn1ccn(CC(O)CNC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one?
The InChIKey is GEHQQTJXVWWJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-13-5-6-14(11(13)16)8-10(15)7-12-9(2)3/h5-6,9-10,12,15H,4,7-8H2,1-3H3.
What are the key properties of 1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one?
1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.03, 6 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-(propan-2-ylamino)propyl]imidazol-2-one is sourced from PubChem (CID 80581874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).