2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine

C12H14F3N3S — CID 84617046

IUPAC2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine
SMILESCC(C)(N)CSc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H14F3N3S/c1-11(2,16)6-19-10-17-8-4-3-7(12(13,14)15)5-9(8)18-10/h3-5H,6,16H2,1-2H3,(H,17,18)
InChIKeyPGDDBSPAAYOYEJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine

2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine (PubChem CID 84617046) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine
PubChem CID84617046
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine
SMILESCC(C)(N)CSc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H14F3N3S/c1-11(2,16)6-19-10-17-8-4-3-7(12(13,14)15)5-9(8)18-10/h3-5H,6,16H2,1-2H3,(H,17,18)
InChIKeyPGDDBSPAAYOYEJ-UHFFFAOYSA-N
XLogP3.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]ethanethioamide
CID 84614990
4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]butan-1-amine
CID 84614974
2-[(4-bromophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole;hydrobromide
CID 2798753
2-(3,7-dimethylocta-2,6-dienylsulfanyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 67916028
5-hydroxy-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyran-4-one
CID 75426662
2-methyl-3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]aniline
CID 67570387
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-2-pyridinyl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole;dihydrochloride
CID 23363009
2-amino-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 64821084
methyl 2-amino-2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62874609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine (CID 84617046) is 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine is CC(C)(N)CSc1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine?
The InChIKey is PGDDBSPAAYOYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c1-11(2,16)6-19-10-17-8-4-3-7(12(13,14)15)5-9(8)18-10/h3-5H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine?
2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine has a molecular weight of 289.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-amine is sourced from PubChem (CID 84617046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).