4-bromo-5-methoxy-1H-benzimidazol-2-amine

C8H8BrN3O — CID 118526223

IUPAC4-bromo-5-methoxy-1H-benzimidazol-2-amine
SMILESCOc1ccc2[nH]c(N)nc2c1Br
InChIInChI=1S/C8H8BrN3O/c1-13-5-3-2-4-7(6(5)9)12-8(10)11-4/h2-3H,1H3,(H3,10,11,12)
InChIKeyGYVSAAFYMJGXLP-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.92
Rot. Bonds1

About 4-bromo-5-methoxy-1H-benzimidazol-2-amine

4-bromo-5-methoxy-1H-benzimidazol-2-amine (PubChem CID 118526223) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 4-bromo-5-methoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-5-methoxy-1H-benzimidazol-2-amine
PubChem CID118526223
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name4-bromo-5-methoxy-1H-benzimidazol-2-amine
SMILESCOc1ccc2[nH]c(N)nc2c1Br
InChIInChI=1S/C8H8BrN3O/c1-13-5-3-2-4-7(6(5)9)12-8(10)11-4/h2-3H,1H3,(H3,10,11,12)
InChIKeyGYVSAAFYMJGXLP-UHFFFAOYSA-N
XLogP1.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-1H-benzimidazol-2-amine?
The IUPAC name of 4-bromo-5-methoxy-1H-benzimidazol-2-amine (CID 118526223) is 4-bromo-5-methoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-bromo-5-methoxy-1H-benzimidazol-2-amine?
The canonical SMILES for 4-bromo-5-methoxy-1H-benzimidazol-2-amine is COc1ccc2[nH]c(N)nc2c1Br.
What is the InChIKey of 4-bromo-5-methoxy-1H-benzimidazol-2-amine?
The InChIKey is GYVSAAFYMJGXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-13-5-3-2-4-7(6(5)9)12-8(10)11-4/h2-3H,1H3,(H3,10,11,12).
What are the key properties of 4-bromo-5-methoxy-1H-benzimidazol-2-amine?
4-bromo-5-methoxy-1H-benzimidazol-2-amine has a molecular weight of 242.08 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 118526223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).