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

C14H7BrCl2N2O2 — CID 91686806

IUPAC7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7BrCl2N2O2/c15-8-3-7(14(20)21)5-11-12(8)19-13(18-11)6-1-2-9(16)10(17)4-6/h1-5H,(H,18,19)(H,20,21)
InChIKeyMDXQETUFNKZVNA-UHFFFAOYSA-N
MW386.03 g/mol
LogP5.00
Rot. Bonds2

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

7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 91686806) has the molecular formula C14H7BrCl2N2O2 and a molecular weight of 386.03 g/mol. Its IUPAC name is 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID91686806
Molecular FormulaC14H7BrCl2N2O2
Molecular Weight386.03 g/mol
Exact Mass383.91
IUPAC Name7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7BrCl2N2O2/c15-8-3-7(14(20)21)5-11-12(8)19-13(18-11)6-1-2-9(16)10(17)4-6/h1-5H,(H,18,19)(H,20,21)
InChIKeyMDXQETUFNKZVNA-UHFFFAOYSA-N
XLogP5.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.03
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid (CID 91686806) is 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is MDXQETUFNKZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O2/c15-8-3-7(14(20)21)5-11-12(8)19-13(18-11)6-1-2-9(16)10(17)4-6/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid?
7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 386.03 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 91686806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).