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

C12H21N3O2 — CID 80581771

IUPAC1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
SMILESCC(C)NCC(O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H21N3O2/c1-9(2)13-7-11(16)8-14-5-6-15(12(14)17)10-3-4-10/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3
InChIKeyQMENVUXPQBAQGE-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.34
Rot. Bonds6

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

1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one (PubChem CID 80581771) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
PubChem CID80581771
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
SMILESCC(C)NCC(O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H21N3O2/c1-9(2)13-7-11(16)8-14-5-6-15(12(14)17)10-3-4-10/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3
InChIKeyQMENVUXPQBAQGE-UHFFFAOYSA-N
XLogP0.34
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one (CID 80581771) is 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one is CC(C)NCC(O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one?
The InChIKey is QMENVUXPQBAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)13-7-11(16)8-14-5-6-15(12(14)17)10-3-4-10/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one?
1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one has a molecular weight of 239.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one is sourced from PubChem (CID 80581771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).