4-(hydroxymethyl)-1,3-dihydroimidazol-2-one

C4H6N2O2 — CID 54466280

IUPAC4-(hydroxymethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CO)[nH]1
InChIInChI=1S/C4H6N2O2/c7-2-3-1-5-4(8)6-3/h1,7H,2H2,(H2,5,6,8)
InChIKeyYVZAWIOJTPGCPQ-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.80
Rot. Bonds1

About 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one

4-(hydroxymethyl)-1,3-dihydroimidazol-2-one (PubChem CID 54466280) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-dihydroimidazol-2-one
PubChem CID54466280
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name4-(hydroxymethyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CO)[nH]1
InChIInChI=1S/C4H6N2O2/c7-2-3-1-5-4(8)6-3/h1,7H,2H2,(H2,5,6,8)
InChIKeyYVZAWIOJTPGCPQ-UHFFFAOYSA-N
XLogP-0.80
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-imidazol-4-ylmethanol
CID 12630193
4-(Dihydroxymethyl)-1,3-dihydroimidazol-2-one
CID 53815919
4-(1-Hydroxyethyl)-1,3-dihydroimidazol-2-one
CID 57136069
5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 57147740
4-(1-Hydroxyethenyl)-1,3-dihydroimidazol-2-one
CID 88994002
5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide
CID 90904164
4-[Chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one
CID 91022415
5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide
CID 91051702
4-(hydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 132118427
5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one
CID 174157127
4-[2-(Dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
CID 175538672
4-[2-(Chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
CID 175538875

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one (CID 54466280) is 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one is O=c1[nH]cc(CO)[nH]1.
What is the InChIKey of 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is YVZAWIOJTPGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-2-3-1-5-4(8)6-3/h1,7H,2H2,(H2,5,6,8).
What are the key properties of 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one?
4-(hydroxymethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 114.10 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 54466280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).