4,7-difluoro-3a,7a-dihydro-1H-benzimidazole

C7H6F2N2 — CID 89300197

IUPAC4,7-difluoro-3a,7a-dihydro-1H-benzimidazole
SMILESFC1=CC=C(F)C2NC=NC12
InChIInChI=1S/C7H6F2N2/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3,6-7H,(H,10,11)
InChIKeyRUUUPYYIFNNTQO-UHFFFAOYSA-N
MW156.13 g/mol
LogP1.08
Rot. Bonds

About 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole

4,7-difluoro-3a,7a-dihydro-1H-benzimidazole (PubChem CID 89300197) has the molecular formula C7H6F2N2 and a molecular weight of 156.13 g/mol. Its IUPAC name is 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name4,7-difluoro-3a,7a-dihydro-1H-benzimidazole
PubChem CID89300197
Molecular FormulaC7H6F2N2
Molecular Weight156.13 g/mol
Exact Mass156.05
IUPAC Name4,7-difluoro-3a,7a-dihydro-1H-benzimidazole
SMILESFC1=CC=C(F)C2NC=NC12
InChIInChI=1S/C7H6F2N2/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3,6-7H,(H,10,11)
InChIKeyRUUUPYYIFNNTQO-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole (CID 89300197) is 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole is FC1=CC=C(F)C2NC=NC12.
What is the InChIKey of 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is RUUUPYYIFNNTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3,6-7H,(H,10,11).
What are the key properties of 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole?
4,7-difluoro-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 156.13 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 89300197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).