N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide

C8H11N3O3 — CID 54364039

IUPACN-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide
SMILESCC(=O)N(CCO)C(=O)n1ccnc1
InChIInChI=1S/C8H11N3O3/c1-7(13)11(4-5-12)8(14)10-3-2-9-6-10/h2-3,6,12H,4-5H2,1H3
InChIKeyUOMYIPNRFKQJIE-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.31
Rot. Bonds2

About N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide

N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide (PubChem CID 54364039) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide
PubChem CID54364039
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide
SMILESCC(=O)N(CCO)C(=O)n1ccnc1
InChIInChI=1S/C8H11N3O3/c1-7(13)11(4-5-12)8(14)10-3-2-9-6-10/h2-3,6,12H,4-5H2,1H3
InChIKeyUOMYIPNRFKQJIE-UHFFFAOYSA-N
XLogP-0.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide?
The IUPAC name of N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide (CID 54364039) is N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide?
The canonical SMILES for N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide is CC(=O)N(CCO)C(=O)n1ccnc1.
What is the InChIKey of N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide?
The InChIKey is UOMYIPNRFKQJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-7(13)11(4-5-12)8(14)10-3-2-9-6-10/h2-3,6,12H,4-5H2,1H3.
What are the key properties of N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide?
N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-hydroxyethyl)imidazole-1-carboxamide is sourced from PubChem (CID 54364039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).