1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine

C11H11F4N3 — CID 114267054

IUPAC1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C(F)(F)F)n2CCCF
InChIInChI=1S/C11H11F4N3/c12-4-1-5-18-9-3-2-7(16)6-8(9)17-10(18)11(13,14)15/h2-3,6H,1,4-5,16H2
InChIKeySUJKXEXRZSGFNJ-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine

1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 114267054) has the molecular formula C11H11F4N3 and a molecular weight of 261.22 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID114267054
Molecular FormulaC11H11F4N3
Molecular Weight261.22 g/mol
Exact Mass261.09
IUPAC Name1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C(F)(F)F)n2CCCF
InChIInChI=1S/C11H11F4N3/c12-4-1-5-18-9-3-2-7(16)6-8(9)17-10(18)11(13,14)15/h2-3,6H,1,4-5,16H2
InChIKeySUJKXEXRZSGFNJ-UHFFFAOYSA-N
XLogP3.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980
2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 62640262
1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 63239906
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 63824827
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
1-(3-methylpentan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 106329553
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
1-(thiolan-3-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 107298298
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine (CID 114267054) is 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C(F)(F)F)n2CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is SUJKXEXRZSGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3/c12-4-1-5-18-9-3-2-7(16)6-8(9)17-10(18)11(13,14)15/h2-3,6H,1,4-5,16H2.
What are the key properties of 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine?
1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 261.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 114267054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).