5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine

C13H8Br3N3 — CID 63546046

IUPAC5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br3N3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyIZWOWQCOQZLIJM-UHFFFAOYSA-N
MW445.94 g/mol
LogP4.90
Rot. Bonds1

About 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine

5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine (PubChem CID 63546046) has the molecular formula C13H8Br3N3 and a molecular weight of 445.94 g/mol. Its IUPAC name is 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
PubChem CID63546046
Molecular FormulaC13H8Br3N3
Molecular Weight445.94 g/mol
Exact Mass442.83
IUPAC Name5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br3N3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyIZWOWQCOQZLIJM-UHFFFAOYSA-N
XLogP4.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.94
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
6-bromo-1-(2-bromo-4-methylphenyl)benzimidazol-2-amine
CID 65346927
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
CID 104727540
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666
2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016149
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine (CID 63546046) is 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine is Nc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Br.
What is the InChIKey of 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine?
The InChIKey is IZWOWQCOQZLIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3N3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine?
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine has a molecular weight of 445.94 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine is sourced from PubChem (CID 63546046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).