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

C14H8Cl3N3O2 — CID 11199089

IUPAC6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C14H8Cl3N3O2/c15-6-4-7(13(21)22)12-10(5-6)19-14(20-12)18-9-3-1-2-8(16)11(9)17/h1-5H,(H,21,22)(H2,18,19,20)
InChIKeyFDWCXDWDXDJBKT-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.96
Rot. Bonds3

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

6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid (PubChem CID 11199089) has the molecular formula C14H8Cl3N3O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid
PubChem CID11199089
Molecular FormulaC14H8Cl3N3O2
Molecular Weight356.60 g/mol
Exact Mass354.97
IUPAC Name6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(Nc3cccc(Cl)c3Cl)nc12
InChIInChI=1S/C14H8Cl3N3O2/c15-6-4-7(13(21)22)12-10(5-6)19-14(20-12)18-9-3-1-2-8(16)11(9)17/h1-5H,(H,21,22)(H2,18,19,20)
InChIKeyFDWCXDWDXDJBKT-UHFFFAOYSA-N
XLogP4.96
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylbenzimidazole-4-carboxylic acid
CID 2771802
2-methyl-1H-1,3-benzodiazole-4-carboxylic acid
CID 10607360
US20230348398, Example 31
CID 156890012
4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid
CID 24816798
2-(2-Chlorophenyl)-1H-benzimidazole-5-carboxylic acid
CID 4915655
6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946379
6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946580
6-chloro-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 46946581
2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 137632068
3-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 137638417
3-(1H-benzimidazol-2-ylamino)benzoic acid
CID 1081072
2-(5,6-dichloro-1H-benzimidazol-2-yl)benzoic acid
CID 13749015

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid (CID 11199089) is 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(Cl)cc2[nH]c(Nc3cccc(Cl)c3Cl)nc12.
What is the InChIKey of 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FDWCXDWDXDJBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O2/c15-6-4-7(13(21)22)12-10(5-6)19-14(20-12)18-9-3-1-2-8(16)11(9)17/h1-5H,(H,21,22)(H2,18,19,20).
What are the key properties of 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid?
6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 356.60 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-dichloroanilino)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 11199089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).