6-bromo-1-(4-bromophenyl)benzimidazol-2-amine

C13H9Br2N3 — CID 65347115

IUPAC6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1ccc(Br)cc1
InChIInChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)18-12-7-9(15)3-6-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeySPPKKBHNYMAIAG-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.13
Rot. Bonds1

About 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine

6-bromo-1-(4-bromophenyl)benzimidazol-2-amine (PubChem CID 65347115) has the molecular formula C13H9Br2N3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
PubChem CID65347115
Molecular FormulaC13H9Br2N3
Molecular Weight367.04 g/mol
Exact Mass364.92
IUPAC Name6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1ccc(Br)cc1
InChIInChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)18-12-7-9(15)3-6-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeySPPKKBHNYMAIAG-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine (CID 65347115) is 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1-c1ccc(Br)cc1.
What is the InChIKey of 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
The InChIKey is SPPKKBHNYMAIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)18-12-7-9(15)3-6-11(12)17-13(18)16/h1-7H,(H2,16,17).
What are the key properties of 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine has a molecular weight of 367.04 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-bromophenyl)benzimidazol-2-amine is sourced from PubChem (CID 65347115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).