4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid

C11H6Cl2N2O3 — CID 116520170

IUPAC4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(c1cc(Cl)ccc1Cl)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H6Cl2N2O3/c12-5-1-2-7(13)6(3-5)10(16)8-9(11(17)18)15-4-14-8/h1-4H,(H,14,15)(H,17,18)
InChIKeyPGCOTLLEEAVGBB-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid

4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 116520170) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid
PubChem CID116520170
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(c1cc(Cl)ccc1Cl)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H6Cl2N2O3/c12-5-1-2-7(13)6(3-5)10(16)8-9(11(17)18)15-4-14-8/h1-4H,(H,14,15)(H,17,18)
InChIKeyPGCOTLLEEAVGBB-UHFFFAOYSA-N
XLogP2.65
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520196
4-(3,4-difluorobenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520126
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629
4-(3,4-dimethoxybenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520138
4-(4-fluoro-2,6-dimethylbenzoyl)-1H-imidazole-5-carboxylic acid
CID 106877093
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
4-(4-methoxy-3-methylbenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520175
4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 21117607
5-(2-amino-5-chlorobenzoyl)-2H-triazole-4-carboxylic acid
CID 152704973
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 66251830
2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
CID 23355545

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid (CID 116520170) is 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid is O=C(c1cc(Cl)ccc1Cl)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is PGCOTLLEEAVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-5-1-2-7(13)6(3-5)10(16)8-9(11(17)18)15-4-14-8/h1-4H,(H,14,15)(H,17,18).
What are the key properties of 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid?
4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 285.09 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorobenzoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 116520170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).