4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

C19H15N3O4 — CID 959593

IUPAC4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H15N3O4/c1-11-7-8-14(13(9-11)17(23)12-5-3-2-4-6-12)22-18(24)15-16(19(25)26)21-10-20-15/h2-10H,1H3,(H,20,21)(H,22,24)(H,25,26)
InChIKeyBEGHMHYEXNCZNK-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.90
Rot. Bonds5

About 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 959593) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID959593
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H15N3O4/c1-11-7-8-14(13(9-11)17(23)12-5-3-2-4-6-12)22-18(24)15-16(19(25)26)21-10-20-15/h2-10H,1H3,(H,20,21)(H,22,24)(H,25,26)
InChIKeyBEGHMHYEXNCZNK-UHFFFAOYSA-N
XLogP2.90
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 4736523
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114050634
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 965334
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 959593) is 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is Cc1ccc(NC(=O)c2nc[nH]c2C(=O)O)c(C(=O)c2ccccc2)c1.
What is the InChIKey of 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is BEGHMHYEXNCZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-11-7-8-14(13(9-11)17(23)12-5-3-2-4-6-12)22-18(24)15-16(19(25)26)21-10-20-15/h2-10H,1H3,(H,20,21)(H,22,24)(H,25,26).
What are the key properties of 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 959593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).