6,7-difluoro-1,5-dimethylbenzimidazole

C9H8F2N2 — CID 118920615

IUPAC6,7-difluoro-1,5-dimethylbenzimidazole
SMILESCc1cc2ncn(C)c2c(F)c1F
InChIInChI=1S/C9H8F2N2/c1-5-3-6-9(8(11)7(5)10)13(2)4-12-6/h3-4H,1-2H3
InChIKeySTZUDCNCCUDWPC-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.16
Rot. Bonds

About 6,7-difluoro-1,5-dimethylbenzimidazole

6,7-difluoro-1,5-dimethylbenzimidazole (PubChem CID 118920615) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 6,7-difluoro-1,5-dimethylbenzimidazole.

Molecular Properties

Compound Name6,7-difluoro-1,5-dimethylbenzimidazole
PubChem CID118920615
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name6,7-difluoro-1,5-dimethylbenzimidazole
SMILESCc1cc2ncn(C)c2c(F)c1F
InChIInChI=1S/C9H8F2N2/c1-5-3-6-9(8(11)7(5)10)13(2)4-12-6/h3-4H,1-2H3
InChIKeySTZUDCNCCUDWPC-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethenyl-6,7-difluoro-1-methylbenzimidazole
CID 147522970
4,5,6,7-tetrafluoro-1-methylbenzimidazole
CID 122222869
1,6,7-trimethylbenzimidazole
CID 83449271
6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane
CID 162382422
3,6-dimethyl-4H-imidazo[4,5-b]pyridin-5-one
CID 23298376
1,9-dimethylimidazo[4,5-c]quinoline
CID 10442691
6-chloro-3-methylbenzimidazole-4-carbaldehyde
CID 83879166
1,9,10-trimethylimidazo[4,5-b]carbazole
CID 158614812
7-bromo-1-methylbenzimidazole-5-carboxylic acid
CID 75487801
3-methylbenzimidazol-4-ol
CID 3771453
5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole
CID 134239362
3-methyl-4-phenylimidazo[4,5-c]pyridin-6-amine
CID 105481953

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1,5-dimethylbenzimidazole?
The IUPAC name of 6,7-difluoro-1,5-dimethylbenzimidazole (CID 118920615) is 6,7-difluoro-1,5-dimethylbenzimidazole.
What is the SMILES notation for 6,7-difluoro-1,5-dimethylbenzimidazole?
The canonical SMILES for 6,7-difluoro-1,5-dimethylbenzimidazole is Cc1cc2ncn(C)c2c(F)c1F.
What is the InChIKey of 6,7-difluoro-1,5-dimethylbenzimidazole?
The InChIKey is STZUDCNCCUDWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-5-3-6-9(8(11)7(5)10)13(2)4-12-6/h3-4H,1-2H3.
What are the key properties of 6,7-difluoro-1,5-dimethylbenzimidazole?
6,7-difluoro-1,5-dimethylbenzimidazole has a molecular weight of 182.17 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,5-dimethylbenzimidazole is sourced from PubChem (CID 118920615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).