2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C8H9F3N2 — CID 71695304

IUPAC2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFC(F)(F)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H2,(H,12,13)
InChIKeyGMLNXWJCFLUBQJ-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.31
Rot. Bonds

About 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 71695304) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID71695304
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFC(F)(F)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H2,(H,12,13)
InChIKeyGMLNXWJCFLUBQJ-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 71695304) is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is FC(F)(F)c1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is GMLNXWJCFLUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H2,(H,12,13).
What are the key properties of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 190.17 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 71695304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).