1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid

C14H8Cl2N2O3 — CID 29077044

IUPAC1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2N2O3/c15-8-2-1-3-11(12(8)16)18-10-5-4-7(13(19)20)6-9(10)17-14(18)21/h1-6H,(H,17,21)(H,19,20)
InChIKeyYJJSYXPIDMRSPV-UHFFFAOYSA-N
MW323.14 g/mol
LogP3.32
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid

1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 29077044) has the molecular formula C14H8Cl2N2O3 and a molecular weight of 323.14 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID29077044
Molecular FormulaC14H8Cl2N2O3
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2N2O3/c15-8-2-1-3-11(12(8)16)18-10-5-4-7(13(19)20)6-9(10)17-14(18)21/h1-6H,(H,17,21)(H,19,20)
InChIKeyYJJSYXPIDMRSPV-UHFFFAOYSA-N
XLogP3.32
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770469
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CID 107607007
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077056
3-(2-bromo-3-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 103480365
2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
CID 110491349
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
3-(3-chlorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 16774187
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
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3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82488622

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 29077044) is 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is YJJSYXPIDMRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O3/c15-8-2-1-3-11(12(8)16)18-10-5-4-7(13(19)20)6-9(10)17-14(18)21/h1-6H,(H,17,21)(H,19,20).
What are the key properties of 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 323.14 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 29077044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).