4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid

C19H15FN4O4 — CID 123290432

IUPAC4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1
InChIInChI=1S/C19H15FN4O4/c1-10-8-11(20)2-7-14(10)17(25)23-12-3-5-13(6-4-12)24-18(26)15-16(19(27)28)22-9-21-15/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)
InChIKeyQYCGOINZUHFQLF-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.06
Rot. Bonds5

About 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid

4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 123290432) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID123290432
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC Name4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1
InChIInChI=1S/C19H15FN4O4/c1-10-8-11(20)2-7-14(10)17(25)23-12-3-5-13(6-4-12)24-18(26)15-16(19(27)28)22-9-21-15/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)
InChIKeyQYCGOINZUHFQLF-UHFFFAOYSA-N
XLogP3.06
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid (CID 123290432) is 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid is Cc1cc(F)ccc1C(=O)Nc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1.
What is the InChIKey of 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is QYCGOINZUHFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-10-8-11(20)2-7-14(10)17(25)23-12-3-5-13(6-4-12)24-18(26)15-16(19(27)28)22-9-21-15/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 382.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluoro-2-methylbenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 123290432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).