2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid

C14H10BrN3O2 — CID 68520464

IUPAC2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(Nc3ccccc3Br)[nH]c2c1
InChIInChI=1S/C14H10BrN3O2/c15-9-3-1-2-4-10(9)16-14-17-11-6-5-8(13(19)20)7-12(11)18-14/h1-7H,(H,19,20)(H2,16,17,18)
InChIKeyKFFJVKWSALBFRI-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid

2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid (PubChem CID 68520464) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
PubChem CID68520464
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(Nc3ccccc3Br)[nH]c2c1
InChIInChI=1S/C14H10BrN3O2/c15-9-3-1-2-4-10(9)16-14-17-11-6-5-8(13(19)20)7-12(11)18-14/h1-7H,(H,19,20)(H2,16,17,18)
InChIKeyKFFJVKWSALBFRI-UHFFFAOYSA-N
XLogP3.77
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid (CID 68520464) is 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(Nc3ccccc3Br)[nH]c2c1.
What is the InChIKey of 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is KFFJVKWSALBFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-9-3-1-2-4-10(9)16-14-17-11-6-5-8(13(19)20)7-12(11)18-14/h1-7H,(H,19,20)(H2,16,17,18).
What are the key properties of 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid?
2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 332.16 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 68520464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).