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

C13H9Br2N3 — CID 82563483

IUPAC6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
SMILESBrc1ccc(Nc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)16-13-17-11-6-3-9(15)7-12(11)18-13/h1-7H,(H2,16,17,18)
InChIKeySADYFLCKAHWQOH-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.83
Rot. Bonds2

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

6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine (PubChem CID 82563483) has the molecular formula C13H9Br2N3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
PubChem CID82563483
Molecular FormulaC13H9Br2N3
Molecular Weight367.04 g/mol
Exact Mass364.92
IUPAC Name6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
SMILESBrc1ccc(Nc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)16-13-17-11-6-3-9(15)7-12(11)18-13/h1-7H,(H2,16,17,18)
InChIKeySADYFLCKAHWQOH-UHFFFAOYSA-N
XLogP4.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine (CID 82563483) is 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine is Brc1ccc(Nc2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine?
The InChIKey is SADYFLCKAHWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)16-13-17-11-6-3-9(15)7-12(11)18-13/h1-7H,(H2,16,17,18).
What are the key properties of 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine?
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine has a molecular weight of 367.04 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).