5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

C14H9BrF3N3 — CID 43661954

IUPAC5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9BrF3N3/c15-9-3-6-12-11(7-9)20-13(19)21(12)10-4-1-8(2-5-10)14(16,17)18/h1-7H,(H2,19,20)
InChIKeySGKOOCODXSLTQX-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.39
Rot. Bonds1

About 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 43661954) has the molecular formula C14H9BrF3N3 and a molecular weight of 356.15 g/mol. Its IUPAC name is 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
PubChem CID43661954
Molecular FormulaC14H9BrF3N3
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9BrF3N3/c15-9-3-6-12-11(7-9)20-13(19)21(12)10-4-1-8(2-5-10)14(16,17)18/h1-7H,(H2,19,20)
InChIKeySGKOOCODXSLTQX-UHFFFAOYSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
CID 43662186
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
CID 62506357
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
2,7-dibromo-9-[4-(trifluoromethyl)phenyl]carbazole
CID 102260661
1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502131
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 43661954) is 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is Nc1nc2cc(Br)ccc2n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is SGKOOCODXSLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3/c15-9-3-6-12-11(7-9)20-13(19)21(12)10-4-1-8(2-5-10)14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 356.15 g/mol, XLogP of 4.39, 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-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 43661954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).