7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid

C14H7Cl3N2O2 — CID 91686797

IUPAC7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7Cl3N2O2/c15-8-2-1-6(3-9(8)16)13-18-11-5-7(14(20)21)4-10(17)12(11)19-13/h1-5H,(H,18,19)(H,20,21)
InChIKeyYAQCJLVXUOCDMH-UHFFFAOYSA-N
MW341.58 g/mol
LogP4.89
Rot. Bonds2

About 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid

7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 91686797) has the molecular formula C14H7Cl3N2O2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID91686797
Molecular FormulaC14H7Cl3N2O2
Molecular Weight341.58 g/mol
Exact Mass339.96
IUPAC Name7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7Cl3N2O2/c15-8-2-1-6(3-9(8)16)13-18-11-5-7(14(20)21)4-10(17)12(11)19-13/h1-5H,(H,18,19)(H,20,21)
InChIKeyYAQCJLVXUOCDMH-UHFFFAOYSA-N
XLogP4.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid (CID 91686797) is 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is YAQCJLVXUOCDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O2/c15-8-2-1-6(3-9(8)16)13-18-11-5-7(14(20)21)4-10(17)12(11)19-13/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 341.58 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 91686797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).