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

C8H10F3N3 — CID 66202110

IUPAC6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine
SMILESNc1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h4H,1-3H2,(H3,12,13,14)
InChIKeyFXGUFDHJFJMKPD-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.66
Rot. Bonds

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

6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine (PubChem CID 66202110) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine
PubChem CID66202110
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine
SMILESNc1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h4H,1-3H2,(H3,12,13,14)
InChIKeyFXGUFDHJFJMKPD-UHFFFAOYSA-N
XLogP1.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?
The IUPAC name of 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine (CID 66202110) is 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine is Nc1nc2c([nH]1)CC(C(F)(F)F)CC2.
What is the InChIKey of 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?
The InChIKey is FXGUFDHJFJMKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h4H,1-3H2,(H3,12,13,14).
What are the key properties of 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?
6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine has a molecular weight of 205.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine is sourced from PubChem (CID 66202110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).