2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid

C18H18Cl2N4O2 — CID 71256142

IUPAC2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid
SMILESCCN(CC)c1cc2nc(Nc3ccc(Cl)cc3Cl)[nH]c2cc1C(=O)O
InChIInChI=1S/C18H18Cl2N4O2/c1-3-24(4-2)16-9-15-14(8-11(16)17(25)26)22-18(23-15)21-13-6-5-10(19)7-12(13)20/h5-9H,3-4H2,1-2H3,(H,25,26)(H2,21,22,23)
InChIKeyQFIAQLYRYFUCEX-UHFFFAOYSA-N
MW393.27 g/mol
LogP5.16
Rot. Bonds6

About 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid

2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid (PubChem CID 71256142) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid
PubChem CID71256142
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid
SMILESCCN(CC)c1cc2nc(Nc3ccc(Cl)cc3Cl)[nH]c2cc1C(=O)O
InChIInChI=1S/C18H18Cl2N4O2/c1-3-24(4-2)16-9-15-14(8-11(16)17(25)26)22-18(23-15)21-13-6-5-10(19)7-12(13)20/h5-9H,3-4H2,1-2H3,(H,25,26)(H2,21,22,23)
InChIKeyQFIAQLYRYFUCEX-UHFFFAOYSA-N
XLogP5.16
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid (CID 71256142) is 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid is CCN(CC)c1cc2nc(Nc3ccc(Cl)cc3Cl)[nH]c2cc1C(=O)O.
What is the InChIKey of 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is QFIAQLYRYFUCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-3-24(4-2)16-9-15-14(8-11(16)17(25)26)22-18(23-15)21-13-6-5-10(19)7-12(13)20/h5-9H,3-4H2,1-2H3,(H,25,26)(H2,21,22,23).
What are the key properties of 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid?
2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 393.27 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 71256142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).