N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C6H9N3O3 — CID 43392539

IUPACN-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c10-2-1-7-5(11)4-3-8-6(12)9-4/h3,10H,1-2H2,(H,7,11)(H2,8,9,12)
InChIKeyJPELQKJSCSXDBZ-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.57
Rot. Bonds3

About N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 43392539) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID43392539
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c10-2-1-7-5(11)4-3-8-6(12)9-4/h3,10H,1-2H2,(H,7,11)(H2,8,9,12)
InChIKeyJPELQKJSCSXDBZ-UHFFFAOYSA-N
XLogP-1.57
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 43392539) is N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCCO)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is JPELQKJSCSXDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-2-1-7-5(11)4-3-8-6(12)9-4/h3,10H,1-2H2,(H,7,11)(H2,8,9,12).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 43392539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).