4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid

C18H12F2N4O4 — CID 144936533

IUPAC4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1F)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N4O4/c19-10-3-1-9(2-4-10)16(25)24-13-6-5-11(7-12(13)20)23-17(26)14-15(18(27)28)22-8-21-14/h1-8H,(H,21,22)(H,23,26)(H,24,25)(H,27,28)
InChIKeyWPCPQSZTIVQAMF-UHFFFAOYSA-N
MW386.31 g/mol
LogP2.89
Rot. Bonds5

About 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid

4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 144936533) has the molecular formula C18H12F2N4O4 and a molecular weight of 386.31 g/mol. Its IUPAC name is 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID144936533
Molecular FormulaC18H12F2N4O4
Molecular Weight386.31 g/mol
Exact Mass386.08
IUPAC Name4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1F)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N4O4/c19-10-3-1-9(2-4-10)16(25)24-13-6-5-11(7-12(13)20)23-17(26)14-15(18(27)28)22-8-21-14/h1-8H,(H,21,22)(H,23,26)(H,24,25)(H,27,28)
InChIKeyWPCPQSZTIVQAMF-UHFFFAOYSA-N
XLogP2.89
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid (CID 144936533) is 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(Nc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1F)c1ccc(F)cc1.
What is the InChIKey of 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is WPCPQSZTIVQAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O4/c19-10-3-1-9(2-4-10)16(25)24-13-6-5-11(7-12(13)20)23-17(26)14-15(18(27)28)22-8-21-14/h1-8H,(H,21,22)(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 386.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 144936533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).