1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine

C13H16F3N3 — CID 55079980

IUPAC1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCCCCCn1c(C(F)(F)F)nc2cc(N)ccc21
InChIInChI=1S/C13H16F3N3/c1-2-3-4-7-19-11-6-5-9(17)8-10(11)18-12(19)13(14,15)16/h5-6,8H,2-4,7,17H2,1H3
InChIKeyBNJUNBDBODSLMU-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.83
Rot. Bonds4

About 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine

1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 55079980) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID55079980
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCCCCCn1c(C(F)(F)F)nc2cc(N)ccc21
InChIInChI=1S/C13H16F3N3/c1-2-3-4-7-19-11-6-5-9(17)8-10(11)18-12(19)13(14,15)16/h5-6,8H,2-4,7,17H2,1H3
InChIKeyBNJUNBDBODSLMU-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114267054
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 62640262
1-(3-methylpentan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 106329553
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 63239906
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine (CID 55079980) is 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine is CCCCCn1c(C(F)(F)F)nc2cc(N)ccc21.
What is the InChIKey of 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is BNJUNBDBODSLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-2-3-4-7-19-11-6-5-9(17)8-10(11)18-12(19)13(14,15)16/h5-6,8H,2-4,7,17H2,1H3.
What are the key properties of 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine?
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 271.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 55079980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).