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

C7H11N3O2 — CID 156709953

IUPAC4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one
SMILESCCC/N=C/c1[nH]c(=O)[nH]c1O
InChIInChI=1S/C7H11N3O2/c1-2-3-8-4-5-6(11)10-7(12)9-5/h4,11H,2-3H2,1H3,(H2,9,10,12)/b8-4+
InChIKeyRYUPAMIOXDYEIQ-XBXARRHUSA-N
MW169.18 g/mol
LogP0.24
Rot. Bonds3

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

4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one (PubChem CID 156709953) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one
PubChem CID156709953
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one
SMILESCCC/N=C/c1[nH]c(=O)[nH]c1O
InChIInChI=1S/C7H11N3O2/c1-2-3-8-4-5-6(11)10-7(12)9-5/h4,11H,2-3H2,1H3,(H2,9,10,12)/b8-4+
InChIKeyRYUPAMIOXDYEIQ-XBXARRHUSA-N
XLogP0.24
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-5-(octadec-9-enyliminomethyl)-1H-pyrimidine-2,4-dione
CID 2856681
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2,4-bis(propyliminomethyl)benzene-1,3,5-triol
CID 137225203
4-hydroxy-5-undecyl-1,3-dihydroimidazol-2-one
CID 54149435
1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione
CID 3718900
5-butylsulfonyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 54522737
6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
CID 137073220
6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione
CID 2172238
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
6-(dodecylamino)-5-nitroso-1H-pyrimidine-2,4-dione
CID 11723775
5-nitroso-6-(octylamino)-1H-pyrimidine-2,4-dione
CID 12782103
N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
CID 135493370

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one (CID 156709953) is 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one is CCC/N=C/c1[nH]c(=O)[nH]c1O.
What is the InChIKey of 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is RYUPAMIOXDYEIQ-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-8-4-5-6(11)10-7(12)9-5/h4,11H,2-3H2,1H3,(H2,9,10,12)/b8-4+.
What are the key properties of 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one?
4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(propyliminomethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 156709953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).