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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Related Compounds

4-hydroxy-5-(4-methyl-4-nitropentyl)-1,3-dihydroimidazol-2-one
CID 91237665
6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
CID 83866855
(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methanesulfonamide
CID 91202879
4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one
CID 90787346
4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
CID 13478903
4-hydroxy-5-[2-(1H-imidazol-2-yl)ethyl]-1,3-dihydroimidazol-2-one
CID 91433267
4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 84731798
5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134136455
3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 82406302
5-ethyl-4-sulfanylidene-6-tetradecyl-1H-pyrimidin-2-one
CID 125483893
4-butyl-5-methyl-1,3-dihydroimidazol-2-one
CID 13478904
6-(4-bromobutyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 151083652

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).