4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid

C13H13N3O3 — CID 52941818

IUPAC4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESCCNC(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O
InChIInChI=1S/C13H13N3O3/c1-2-14-12(17)9-10(13(18)19)16-11(15-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyVTFMOOFMNZMPQV-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.52
Rot. Bonds4

About 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid

4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid (PubChem CID 52941818) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
PubChem CID52941818
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESCCNC(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O
InChIInChI=1S/C13H13N3O3/c1-2-14-12(17)9-10(13(18)19)16-11(15-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyVTFMOOFMNZMPQV-UHFFFAOYSA-N
XLogP1.52
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid (CID 52941818) is 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid is CCNC(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O.
What is the InChIKey of 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The InChIKey is VTFMOOFMNZMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-14-12(17)9-10(13(18)19)16-11(15-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 52941818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).