2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid

C14H9Cl2N3O3 — CID 11473191

IUPAC2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(Nc3cccc(Cl)c3Cl)nc2c1O
InChIInChI=1S/C14H9Cl2N3O3/c15-7-2-1-3-8(10(7)16)17-14-18-9-5-4-6(13(21)22)12(20)11(9)19-14/h1-5,20H,(H,21,22)(H2,17,18,19)
InChIKeyRUEPKVXCEBEQLG-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.02
Rot. Bonds3

About 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid

2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid (PubChem CID 11473191) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid
PubChem CID11473191
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(Nc3cccc(Cl)c3Cl)nc2c1O
InChIInChI=1S/C14H9Cl2N3O3/c15-7-2-1-3-8(10(7)16)17-14-18-9-5-4-6(13(21)22)12(20)11(9)19-14/h1-5,20H,(H,21,22)(H2,17,18,19)
InChIKeyRUEPKVXCEBEQLG-UHFFFAOYSA-N
XLogP4.02
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-5-methylsulfanyl-1H-benzimidazole-4-carboxylic acid
CID 59862552
ethyl 2-(2,3-dichloroanilino)-5-fluoro-1H-benzimidazole-4-carboxylate
CID 66910241
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
2-(2-amino-3-chloroanilino)-5-benzylsulfanyl-1H-benzimidazole-4-carboxylic acid
CID 89028954
2-[[6-(2,3-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194960
5-benzylsulfonyl-2-(3-chloro-2-methylanilino)-1H-benzimidazole-4-carboxylic acid
CID 70849216
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid
CID 11739520
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555
6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
CID 136808641
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid (CID 11473191) is 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(Nc3cccc(Cl)c3Cl)nc2c1O.
What is the InChIKey of 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid?
The InChIKey is RUEPKVXCEBEQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-7-2-1-3-8(10(7)16)17-14-18-9-5-4-6(13(21)22)12(20)11(9)19-14/h1-5,20H,(H,21,22)(H2,17,18,19).
What are the key properties of 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid?
2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid has a molecular weight of 338.15 g/mol, XLogP of 4.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 11473191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).