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

C13H9Br2N3 — CID 43661850

IUPAC5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyIGMLCYMMNVWLID-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.13
Rot. Bonds1

About 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine

5-bromo-1-(4-bromophenyl)benzimidazol-2-amine (PubChem CID 43661850) has the molecular formula C13H9Br2N3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
PubChem CID43661850
Molecular FormulaC13H9Br2N3
Molecular Weight367.04 g/mol
Exact Mass364.92
IUPAC Name5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)17-13(18)16/h1-7H,(H2,16,17)
InChIKeyIGMLCYMMNVWLID-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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Related Compounds

1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
CID 43662186
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906
5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine (CID 43661850) is 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine is Nc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
The InChIKey is IGMLCYMMNVWLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3/c14-8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)17-13(18)16/h1-7H,(H2,16,17).
What are the key properties of 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine?
5-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 5-bromo-1-(4-bromophenyl)benzimidazol-2-amine is sourced from PubChem (CID 43661850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).