5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide

C7H11N3O4 — CID 90904164

IUPAC5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCCNC(=O)n1cc(C(O)O)[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-2-8-6(13)10-3-4(5(11)12)9-7(10)14/h3,5,11-12H,2H2,1H3,(H,8,13)(H,9,14)
InChIKeyNIJNPBJRGLPXIW-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.26
Rot. Bonds2

About 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide

5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide (PubChem CID 90904164) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide.

Molecular Properties

Compound Name5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide
PubChem CID90904164
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCCNC(=O)n1cc(C(O)O)[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-2-8-6(13)10-3-4(5(11)12)9-7(10)14/h3,5,11-12H,2H2,1H3,(H,8,13)(H,9,14)
InChIKeyNIJNPBJRGLPXIW-UHFFFAOYSA-N
XLogP-1.26
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Dihydroxymethyl)-1,3-dihydroimidazol-2-one
CID 53815919
4-(Hydroxymethyl)-1,3-dihydroimidazol-2-one
CID 54466280
5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 57147740
ethyl 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxylate
CID 57303640
3-butanoyl-5-(dihydroxymethyl)-1H-imidazol-2-one
CID 90838568
5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide
CID 91051702
5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxylic acid
CID 91241129
4-(hydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 132118427
3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one
CID 136505266
(3-Methyl-1,2-dihydroimidazol-5-yl)methanediol
CID 163741485

Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide?
The IUPAC name of 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide (CID 90904164) is 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide.
What is the SMILES notation for 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide?
The canonical SMILES for 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide is CCNC(=O)n1cc(C(O)O)[nH]c1=O.
What is the InChIKey of 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide?
The InChIKey is NIJNPBJRGLPXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-2-8-6(13)10-3-4(5(11)12)9-7(10)14/h3,5,11-12H,2H2,1H3,(H,8,13)(H,9,14).
What are the key properties of 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide?
5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide has a molecular weight of 201.18 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide is sourced from PubChem (CID 90904164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).