4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid

C7H9N3O3 — CID 21117607

IUPAC4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESCN(C)C(=O)c1nc[nH]c1C(=O)O
InChIInChI=1S/C7H9N3O3/c1-10(2)6(11)4-5(7(12)13)9-3-8-4/h3H,1-2H3,(H,8,9)(H,12,13)
InChIKeyYHZIFVSQSSWIJR-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.19
Rot. Bonds2

About 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid

4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 21117607) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid
PubChem CID21117607
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESCN(C)C(=O)c1nc[nH]c1C(=O)O
InChIInChI=1S/C7H9N3O3/c1-10(2)6(11)4-5(7(12)13)9-3-8-4/h3H,1-2H3,(H,8,9)(H,12,13)
InChIKeyYHZIFVSQSSWIJR-UHFFFAOYSA-N
XLogP-0.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid (CID 21117607) is 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid is CN(C)C(=O)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is YHZIFVSQSSWIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10(2)6(11)4-5(7(12)13)9-3-8-4/h3H,1-2H3,(H,8,9)(H,12,13).
What are the key properties of 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid?
4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 21117607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).