5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine

C13H15F4N3 — CID 103593064

IUPAC5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCCCC(F)(F)F
InChIInChI=1S/C13H15F4N3/c1-8-6-11-10(7-9(8)14)19-12(18)20(11)5-3-2-4-13(15,16)17/h6-7H,2-5H2,1H3,(H2,18,19)
InChIKeyYZUQYOWQOLIKSN-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.80
Rot. Bonds4

About 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine

5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine (PubChem CID 103593064) has the molecular formula C13H15F4N3 and a molecular weight of 289.28 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
PubChem CID103593064
Molecular FormulaC13H15F4N3
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCCCC(F)(F)F
InChIInChI=1S/C13H15F4N3/c1-8-6-11-10(7-9(8)14)19-12(18)20(11)5-3-2-4-13(15,16)17/h6-7H,2-5H2,1H3,(H2,18,19)
InChIKeyYZUQYOWQOLIKSN-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520922
2-(chloromethyl)-5-fluoro-6-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 103593897
5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520901
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine (CID 103593064) is 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2CCCCC(F)(F)F.
What is the InChIKey of 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The InChIKey is YZUQYOWQOLIKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3/c1-8-6-11-10(7-9(8)14)19-12(18)20(11)5-3-2-4-13(15,16)17/h6-7H,2-5H2,1H3,(H2,18,19).
What are the key properties of 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine has a molecular weight of 289.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine is sourced from PubChem (CID 103593064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).