2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid

C16H10Cl2N2O2 — CID 70419797

IUPAC2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(C=Cc3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C16H10Cl2N2O2/c17-11-6-4-9(8-12(11)18)5-7-14-19-13-3-1-2-10(16(21)22)15(13)20-14/h1-8H,(H,19,20)(H,21,22)
InChIKeyTWWAOZFMFUQFGL-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.74
Rot. Bonds3

About 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid

2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 70419797) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID70419797
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(C=Cc3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C16H10Cl2N2O2/c17-11-6-4-9(8-12(11)18)5-7-14-19-13-3-1-2-10(16(21)22)15(13)20-14/h1-8H,(H,19,20)(H,21,22)
InChIKeyTWWAOZFMFUQFGL-UHFFFAOYSA-N
XLogP4.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid (CID 70419797) is 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(C=Cc3ccc(Cl)c(Cl)c3)nc12.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is TWWAOZFMFUQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-11-6-4-9(8-12(11)18)5-7-14-19-13-3-1-2-10(16(21)22)15(13)20-14/h1-8H,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid?
2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 333.17 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 70419797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).