1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine

C12H9F3N4S — CID 63824827

IUPAC1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C(F)(F)F)n2Cc1cscn1
InChIInChI=1S/C12H9F3N4S/c13-12(14,15)11-18-9-3-7(16)1-2-10(9)19(11)4-8-5-20-6-17-8/h1-3,5-6H,4,16H2
InChIKeyPHHMFQAFATYFLB-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.14
Rot. Bonds2

About 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine

1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 63824827) has the molecular formula C12H9F3N4S and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID63824827
Molecular FormulaC12H9F3N4S
Molecular Weight298.29 g/mol
Exact Mass298.05
IUPAC Name1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C(F)(F)F)n2Cc1cscn1
InChIInChI=1S/C12H9F3N4S/c13-12(14,15)11-18-9-3-7(16)1-2-10(9)19(11)4-8-5-20-6-17-8/h1-3,5-6H,4,16H2
InChIKeyPHHMFQAFATYFLB-UHFFFAOYSA-N
XLogP3.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114267054
1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 63239906
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
6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 63825683
1-(thiolan-3-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 107298298
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
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
4-[[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63823547
2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 62508021

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine (CID 63824827) is 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C(F)(F)F)n2Cc1cscn1.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is PHHMFQAFATYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4S/c13-12(14,15)11-18-9-3-7(16)1-2-10(9)19(11)4-8-5-20-6-17-8/h1-3,5-6H,4,16H2.
What are the key properties of 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine?
1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 298.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 63824827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).