4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one

C7H13N3O2 — CID 54058151

IUPAC4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESNCCCCc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C7H13N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h11H,1-4,8H2,(H2,9,10,12)
InChIKeyLXSXLDSPGAPJRX-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.31
Rot. Bonds4

About 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one

4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 54058151) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID54058151
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESNCCCCc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C7H13N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h11H,1-4,8H2,(H2,9,10,12)
InChIKeyLXSXLDSPGAPJRX-UHFFFAOYSA-N
XLogP-0.31
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one (CID 54058151) is 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one is NCCCCc1[nH]c(=O)[nH]c1O.
What is the InChIKey of 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is LXSXLDSPGAPJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h11H,1-4,8H2,(H2,9,10,12).
What are the key properties of 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one?
4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 171.20 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 54058151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).