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

C14H9Cl2N3O2 — CID 11232488

IUPAC2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C14H9Cl2N3O2/c15-8-4-2-5-9(11(8)16)17-14-18-10-6-1-3-7(13(20)21)12(10)19-14/h1-6H,(H,20,21)(H2,17,18,19)
InChIKeyHFVGOJHWJGAMCY-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.31
Rot. Bonds3

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

2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid (PubChem CID 11232488) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid
PubChem CID11232488
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C14H9Cl2N3O2/c15-8-4-2-5-9(11(8)16)17-14-18-10-6-1-3-7(13(20)21)12(10)19-14/h1-6H,(H,20,21)(H2,17,18,19)
InChIKeyHFVGOJHWJGAMCY-UHFFFAOYSA-N
XLogP4.31
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid (CID 11232488) is 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(Nc3cccc(Cl)c3Cl)nc12.
What is the InChIKey of 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is HFVGOJHWJGAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-8-4-2-5-9(11(8)16)17-14-18-10-6-1-3-7(13(20)21)12(10)19-14/h1-6H,(H,20,21)(H2,17,18,19).
What are the key properties of 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 322.15 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 11232488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).