6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine

C7H9F2N3 — CID 167714971

IUPAC6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine
SMILESNc1nc2c([nH]1)CC(F)(F)CC2
InChIInChI=1S/C7H9F2N3/c8-7(9)2-1-4-5(3-7)12-6(10)11-4/h1-3H2,(H3,10,11,12)
InChIKeyZGLTYRVSIKUYJV-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.12
Rot. Bonds

About 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine

6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine (PubChem CID 167714971) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine.

Molecular Properties

Compound Name6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine
PubChem CID167714971
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine
SMILESNc1nc2c([nH]1)CC(F)(F)CC2
InChIInChI=1S/C7H9F2N3/c8-7(9)2-1-4-5(3-7)12-6(10)11-4/h1-3H2,(H3,10,11,12)
InChIKeyZGLTYRVSIKUYJV-UHFFFAOYSA-N
XLogP1.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine?
The IUPAC name of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine (CID 167714971) is 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine.
What is the SMILES notation for 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine?
The canonical SMILES for 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine is Nc1nc2c([nH]1)CC(F)(F)CC2.
What is the InChIKey of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine?
The InChIKey is ZGLTYRVSIKUYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c8-7(9)2-1-4-5(3-7)12-6(10)11-4/h1-3H2,(H3,10,11,12).
What are the key properties of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine?
6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine has a molecular weight of 173.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazol-2-amine is sourced from PubChem (CID 167714971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).