5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione

C8H5F3N2S — CID 2727934

IUPAC5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
SMILESFC(F)(F)c1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14)
InChIKeyHHZOBJBWXJSCSN-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.24
Rot. Bonds

About 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione

5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione (PubChem CID 2727934) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
PubChem CID2727934
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
SMILESFC(F)(F)c1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14)
InChIKeyHHZOBJBWXJSCSN-UHFFFAOYSA-N
XLogP3.24
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Mercaptobenzimidazole
CID 707035
Methyl-2-mercaptobenzimidazole
CID 3034478
1,3-Dihydro-2H-naphth(2,3-d)imidazole-2-thione
CID 935396
5-Methylbenzimidazolone
CID 223134
4-Methyl-1,3-dihydrobenzimidazole-2-thione;ZINC
CID 57358321
3-(Trifluoromethyl)phenylthiourea
CID 735844
2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
CID 712373
6,6'-methylenebis(1H-benzimidazole-2-thiol)
CID 802901
1,3-Dihydro-1-(1-methylethyl)-5-(trifluoromethyl)-2H-benzimidazole-2-thione
CID 2747503
1-benzyl-1H-benzimidazole-2-thiol
CID 764299
(4-(Trifluoromethyl)phenyl)thiourea
CID 2777727
5-Fluoro-1H-benzo[d]imidazole-2(3H)-thione
CID 3434885

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione (CID 2727934) is 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione is FC(F)(F)c1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is HHZOBJBWXJSCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14).
What are the key properties of 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione?
5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 218.20 g/mol, XLogP of 3.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 2727934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).