4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine

C8H6F3N3S — CID 131599442

IUPAC4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine
SMILESNc1nc2c(SC(F)(F)F)cccc2[nH]1
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)15-5-3-1-2-4-6(5)14-7(12)13-4/h1-3H,(H3,12,13,14)
InChIKeyXGZPOJYMFYJWOD-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.76
Rot. Bonds1

About 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine

4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine (PubChem CID 131599442) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine
PubChem CID131599442
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine
SMILESNc1nc2c(SC(F)(F)F)cccc2[nH]1
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)15-5-3-1-2-4-6(5)14-7(12)13-4/h1-3H,(H3,12,13,14)
InChIKeyXGZPOJYMFYJWOD-UHFFFAOYSA-N
XLogP2.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethylsulfanyl)-1H-benzimidazole-2-carbaldehyde
CID 131305927
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
4-heptan-4-yl-1H-benzimidazol-2-amine
CID 91368922
4-prop-2-enyl-1H-benzimidazol-2-amine
CID 66897302
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
3-(2-amino-1H-benzimidazol-4-yl)-1H-pyridin-2-one
CID 170945609
4-(disulfanyl)-2-methyl-1H-benzimidazole
CID 126612674
2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
CID 174200783

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine (CID 131599442) is 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine is Nc1nc2c(SC(F)(F)F)cccc2[nH]1.
What is the InChIKey of 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine?
The InChIKey is XGZPOJYMFYJWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c9-8(10,11)15-5-3-1-2-4-6(5)14-7(12)13-4/h1-3H,(H3,12,13,14).
What are the key properties of 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine?
4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine has a molecular weight of 233.22 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 131599442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).