4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine

C13H6F5N3 — CID 115508935

IUPAC4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F5N3/c14-5-2-8(17)12(9(18)3-5)21-10-4-6(15)1-7(16)11(10)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyOYRMOTNNSFMRMV-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.30
Rot. Bonds1

About 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine

4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine (PubChem CID 115508935) has the molecular formula C13H6F5N3 and a molecular weight of 299.20 g/mol. Its IUPAC name is 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
PubChem CID115508935
Molecular FormulaC13H6F5N3
Molecular Weight299.20 g/mol
Exact Mass299.05
IUPAC Name4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F5N3/c14-5-2-8(17)12(9(18)3-5)21-10-4-6(15)1-7(16)11(10)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyOYRMOTNNSFMRMV-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
CID 115508550
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
CID 107799605
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine (CID 115508935) is 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1-c1c(F)cc(F)cc1F.
What is the InChIKey of 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine?
The InChIKey is OYRMOTNNSFMRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5N3/c14-5-2-8(17)12(9(18)3-5)21-10-4-6(15)1-7(16)11(10)20-13(21)19/h1-4H,(H2,19,20).
What are the key properties of 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine?
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine has a molecular weight of 299.20 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 115508935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).