2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid

C14H8Cl2FN3O2 — CID 12000655

IUPAC2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C14H8Cl2FN3O2/c15-8-2-1-3-9(11(8)16)18-14-19-10-5-6(17)4-7(13(21)22)12(10)20-14/h1-5H,(H,21,22)(H2,18,19,20)
InChIKeyGGWFJMICGLKOKB-UHFFFAOYSA-N
MW340.14 g/mol
LogP4.45
Rot. Bonds3

About 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid

2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid (PubChem CID 12000655) has the molecular formula C14H8Cl2FN3O2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid
PubChem CID12000655
Molecular FormulaC14H8Cl2FN3O2
Molecular Weight340.14 g/mol
Exact Mass339.00
IUPAC Name2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C14H8Cl2FN3O2/c15-8-2-1-3-9(11(8)16)18-14-19-10-5-6(17)4-7(13(21)22)12(10)20-14/h1-5H,(H,21,22)(H2,18,19,20)
InChIKeyGGWFJMICGLKOKB-UHFFFAOYSA-N
XLogP4.45
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid (CID 12000655) is 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(F)cc2[nH]c(Nc3cccc(Cl)c3Cl)nc12.
What is the InChIKey of 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The InChIKey is GGWFJMICGLKOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O2/c15-8-2-1-3-9(11(8)16)18-14-19-10-5-6(17)4-7(13(21)22)12(10)20-14/h1-5H,(H,21,22)(H2,18,19,20).
What are the key properties of 2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
2-(2,3-dichloroanilino)-6-fluoro-1H-benzimidazole-4-carboxylic acid has a molecular weight of 340.14 g/mol, XLogP of 4.45, 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)-6-fluoro-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 12000655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).