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

C12H23N3O2 — CID 80581615

IUPAC1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(O)CNC(C)C)c1=O
InChIInChI=1S/C12H23N3O2/c1-4-5-14-6-7-15(12(14)17)9-11(16)8-13-10(2)3/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeySNEACNTYJUSOTN-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.42
Rot. Bonds7

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

1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one (PubChem CID 80581615) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one
PubChem CID80581615
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(O)CNC(C)C)c1=O
InChIInChI=1S/C12H23N3O2/c1-4-5-14-6-7-15(12(14)17)9-11(16)8-13-10(2)3/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeySNEACNTYJUSOTN-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one (CID 80581615) is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one is CCCn1ccn(CC(O)CNC(C)C)c1=O.
What is the InChIKey of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one?
The InChIKey is SNEACNTYJUSOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-5-14-6-7-15(12(14)17)9-11(16)8-13-10(2)3/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one?
1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).