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

C19H15FN4O4 — CID 144936565

IUPAC4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cc(NC(=O)c2nc[nH]c2C(=O)O)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4/c1-10-8-13(23-18(26)15-16(19(27)28)22-9-21-15)6-7-14(10)24-17(25)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,21,22)(H,23,26)(H,24,25)(H,27,28)
InChIKeyUJLVWKFIEGXEBB-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.06
Rot. Bonds5

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

4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 144936565) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID144936565
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC Name4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cc(NC(=O)c2nc[nH]c2C(=O)O)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4/c1-10-8-13(23-18(26)15-16(19(27)28)22-9-21-15)6-7-14(10)24-17(25)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,21,22)(H,23,26)(H,24,25)(H,27,28)
InChIKeyUJLVWKFIEGXEBB-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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Related Compounds

5-Phenylcarbamoyl-3H-imidazole-4-carboxylic acid
CID 564859
5-(4-Amino-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
CID 3132734
ethyl 4-{[(2-methylphenyl)amino]carbonyl}-1H-imidazole-5-carboxylate
CID 572364
5-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 44142673
Bas 01557661
CID 784642
4-[(2-benzoyl-4-bromo-phenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 3577238
5-N-(2-fluorophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 46903244
4-[(4-fluorophenyl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 65638569
8-Fluoro-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CID 14119225
1,3-dimethyl-7H-purine-2,6-dione;2-[3-(trifluoromethyl)anilino]benzoic acid
CID 139198715
N5-(4-Fluorophenyl)-N4-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 895415
4-(4-Trifluoromethylphenylaminocarbonyl)-imidazole-5-carboxylic acid
CID 595223

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid (CID 144936565) is 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid is Cc1cc(NC(=O)c2nc[nH]c2C(=O)O)ccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is UJLVWKFIEGXEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-10-8-13(23-18(26)15-16(19(27)28)22-9-21-15)6-7-14(10)24-17(25)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,21,22)(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]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-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 144936565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).