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

C13H16F3N3 — CID 115520922

IUPAC6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
SMILESCc1ccc2nc(N)n(CCCCC(F)(F)F)c2c1
InChIInChI=1S/C13H16F3N3/c1-9-4-5-10-11(8-9)19(12(17)18-10)7-3-2-6-13(14,15)16/h4-5,8H,2-3,6-7H2,1H3,(H2,17,18)
InChIKeySSXWDDYFGHOYDI-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.66
Rot. Bonds4

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

6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine (PubChem CID 115520922) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
PubChem CID115520922
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
SMILESCc1ccc2nc(N)n(CCCCC(F)(F)F)c2c1
InChIInChI=1S/C13H16F3N3/c1-9-4-5-10-11(8-9)19(12(17)18-10)7-3-2-6-13(14,15)16/h4-5,8H,2-3,6-7H2,1H3,(H2,17,18)
InChIKeySSXWDDYFGHOYDI-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.66
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-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520901
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874
2-methyl-3-(5,5,5-trifluoropentyl)benzimidazole-5-carboxylic acid
CID 82774842
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine
CID 21484264
5-methyl-3-(5,5,5-trifluoropentyl)-1H-benzimidazole-2-thione
CID 115520864
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine
CID 112671160
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The IUPAC name of 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine (CID 115520922) is 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The canonical SMILES for 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine is Cc1ccc2nc(N)n(CCCCC(F)(F)F)c2c1.
What is the InChIKey of 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
The InChIKey is SSXWDDYFGHOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-9-4-5-10-11(8-9)19(12(17)18-10)7-3-2-6-13(14,15)16/h4-5,8H,2-3,6-7H2,1H3,(H2,17,18).
What are the key properties of 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine?
6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine has a molecular weight of 271.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine is sourced from PubChem (CID 115520922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).