4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

C11H7BrClN3O3 — CID 103477624

IUPAC4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1cccc(Cl)c1Br)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H7BrClN3O3/c12-7-5(13)2-1-3-6(7)16-10(17)8-9(11(18)19)15-4-14-8/h1-4H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyOSCKWPLUFOOCOG-UHFFFAOYSA-N
MW344.55 g/mol
LogP2.78
Rot. Bonds3

About 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 103477624) has the molecular formula C11H7BrClN3O3 and a molecular weight of 344.55 g/mol. Its IUPAC name is 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID103477624
Molecular FormulaC11H7BrClN3O3
Molecular Weight344.55 g/mol
Exact Mass342.94
IUPAC Name4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1cccc(Cl)c1Br)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H7BrClN3O3/c12-7-5(13)2-1-3-6(7)16-10(17)8-9(11(18)19)15-4-14-8/h1-4H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyOSCKWPLUFOOCOG-UHFFFAOYSA-N
XLogP2.78
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 66251830
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629
4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114050634
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 103481467
4-amino-N-(2-bromo-3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 103477230
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide
CID 103478796
6-amino-N-(2-bromo-3-chlorophenyl)pyridine-2-carboxamide
CID 103481383
5-amino-N-(2-bromo-3-chlorophenyl)-1H-indazole-3-carboxamide
CID 103477097
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 24983646

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 103477624) is 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(Nc1cccc(Cl)c1Br)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is OSCKWPLUFOOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O3/c12-7-5(13)2-1-3-6(7)16-10(17)8-9(11(18)19)15-4-14-8/h1-4H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 344.55 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 103477624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).