5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine

C14H10Br2FN3 — CID 107593051

IUPAC5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
SMILESCc1cc(F)c(Br)cc1-n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C14H10Br2FN3/c1-7-4-10(17)9(16)6-13(7)20-12-3-2-8(15)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyPMXZEGLFXDNLOA-UHFFFAOYSA-N
MW399.06 g/mol
LogP4.58
Rot. Bonds1

About 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine

5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine (PubChem CID 107593051) has the molecular formula C14H10Br2FN3 and a molecular weight of 399.06 g/mol. Its IUPAC name is 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
PubChem CID107593051
Molecular FormulaC14H10Br2FN3
Molecular Weight399.06 g/mol
Exact Mass396.92
IUPAC Name5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
SMILESCc1cc(F)c(Br)cc1-n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C14H10Br2FN3/c1-7-4-10(17)9(16)6-13(7)20-12-3-2-8(15)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyPMXZEGLFXDNLOA-UHFFFAOYSA-N
XLogP4.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.06
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854258
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
CID 103586598
5-bromo-1-(2,5-dichloro-4-methylphenyl)benzimidazol-2-amine
CID 104727540
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine (CID 107593051) is 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine is Cc1cc(F)c(Br)cc1-n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine?
The InChIKey is PMXZEGLFXDNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FN3/c1-7-4-10(17)9(16)6-13(7)20-12-3-2-8(15)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine?
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine has a molecular weight of 399.06 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 107593051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).