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

C12H11N3O3 — CID 52941817

IUPAC4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESCNC(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-13-11(16)8-9(12(17)18)15-10(14-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyWSDXLTVPUSBKGY-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.13
Rot. Bonds3

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

4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid (PubChem CID 52941817) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
PubChem CID52941817
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESCNC(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-13-11(16)8-9(12(17)18)15-10(14-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyWSDXLTVPUSBKGY-UHFFFAOYSA-N
XLogP1.13
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid (CID 52941817) is 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid is CNC(=O)c1nc(-c2ccccc2)[nH]c1C(=O)O.
What is the InChIKey of 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The InChIKey is WSDXLTVPUSBKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-13-11(16)8-9(12(17)18)15-10(14-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 52941817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).