1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine

C21H15F3N6 — CID 155032478

IUPAC1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1-c1cc(-n2c(N)nc3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N6/c22-21(23,24)12-9-13(29-17-7-3-1-5-15(17)27-19(29)25)11-14(10-12)30-18-8-4-2-6-16(18)28-20(30)26/h1-11H,(H2,25,27)(H2,26,28)
InChIKeyGAFHYTQYDSGENO-UHFFFAOYSA-N
MW408.39 g/mol
LogP4.55
Rot. Bonds2

About 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine

1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 155032478) has the molecular formula C21H15F3N6 and a molecular weight of 408.39 g/mol. Its IUPAC name is 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine
PubChem CID155032478
Molecular FormulaC21H15F3N6
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1-c1cc(-n2c(N)nc3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N6/c22-21(23,24)12-9-13(29-17-7-3-1-5-15(17)27-19(29)25)11-14(10-12)30-18-8-4-2-6-16(18)28-20(30)26/h1-11H,(H2,25,27)(H2,26,28)
InChIKeyGAFHYTQYDSGENO-UHFFFAOYSA-N
XLogP4.55
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 155032478) is 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine is Nc1nc2ccccc2n1-c1cc(-n2c(N)nc3ccccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is GAFHYTQYDSGENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6/c22-21(23,24)12-9-13(29-17-7-3-1-5-15(17)27-19(29)25)11-14(10-12)30-18-8-4-2-6-16(18)28-20(30)26/h1-11H,(H2,25,27)(H2,26,28).
What are the key properties of 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine?
1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 408.39 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 155032478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).