4,5,6,7-tetrafluoro-1-methylbenzimidazole

C8H4F4N2 — CID 122222869

IUPAC4,5,6,7-tetrafluoro-1-methylbenzimidazole
SMILESCn1cnc2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C8H4F4N2/c1-14-2-13-7-5(11)3(9)4(10)6(12)8(7)14/h2H,1H3
InChIKeyOGQLTIZMEHMDMV-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.13
Rot. Bonds

About 4,5,6,7-tetrafluoro-1-methylbenzimidazole

4,5,6,7-tetrafluoro-1-methylbenzimidazole (PubChem CID 122222869) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-1-methylbenzimidazole
PubChem CID122222869
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name4,5,6,7-tetrafluoro-1-methylbenzimidazole
SMILESCn1cnc2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C8H4F4N2/c1-14-2-13-7-5(11)3(9)4(10)6(12)8(7)14/h2H,1H3
InChIKeyOGQLTIZMEHMDMV-UHFFFAOYSA-N
XLogP2.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-1-methylbenzimidazole?
The IUPAC name of 4,5,6,7-tetrafluoro-1-methylbenzimidazole (CID 122222869) is 4,5,6,7-tetrafluoro-1-methylbenzimidazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-1-methylbenzimidazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-1-methylbenzimidazole is Cn1cnc2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 4,5,6,7-tetrafluoro-1-methylbenzimidazole?
The InChIKey is OGQLTIZMEHMDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c1-14-2-13-7-5(11)3(9)4(10)6(12)8(7)14/h2H,1H3.
What are the key properties of 4,5,6,7-tetrafluoro-1-methylbenzimidazole?
4,5,6,7-tetrafluoro-1-methylbenzimidazole has a molecular weight of 204.13 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-1-methylbenzimidazole is sourced from PubChem (CID 122222869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).