5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one

C5H8N2O3 — CID 57147740

IUPAC5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one
SMILESCn1cc(C(O)O)[nH]c1=O
InChIInChI=1S/C5H8N2O3/c1-7-2-3(4(8)9)6-5(7)10/h2,4,8-9H,1H3,(H,6,10)
InChIKeyBIOTZPTYACNZCS-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.30
Rot. Bonds1

About 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one

5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one (PubChem CID 57147740) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one
PubChem CID57147740
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one
SMILESCn1cc(C(O)O)[nH]c1=O
InChIInChI=1S/C5H8N2O3/c1-7-2-3(4(8)9)6-5(7)10/h2,4,8-9H,1H3,(H,6,10)
InChIKeyBIOTZPTYACNZCS-UHFFFAOYSA-N
XLogP-1.30
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one (CID 57147740) is 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one is Cn1cc(C(O)O)[nH]c1=O.
What is the InChIKey of 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one?
The InChIKey is BIOTZPTYACNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-7-2-3(4(8)9)6-5(7)10/h2,4,8-9H,1H3,(H,6,10).
What are the key properties of 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one?
5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one has a molecular weight of 144.13 g/mol, XLogP of -1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 57147740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).