1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole

C10H8F4N2 — CID 162380961

IUPAC1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole
SMILESCc1c(F)cc2c(nc(C)n2C(F)F)c1F
InChIInChI=1S/C10H8F4N2/c1-4-6(11)3-7-9(8(4)12)15-5(2)16(7)10(13)14/h3,10H,1-2H3
InChIKeyXJXQUMCTTYYYMZ-UHFFFAOYSA-N
MW232.18 g/mol
LogP3.33
Rot. Bonds1

About 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole

1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole (PubChem CID 162380961) has the molecular formula C10H8F4N2 and a molecular weight of 232.18 g/mol. Its IUPAC name is 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole
PubChem CID162380961
Molecular FormulaC10H8F4N2
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Name1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole
SMILESCc1c(F)cc2c(nc(C)n2C(F)F)c1F
InChIInChI=1S/C10H8F4N2/c1-4-6(11)3-7-9(8(4)12)15-5(2)16(7)10(13)14/h3,10H,1-2H3
InChIKeyXJXQUMCTTYYYMZ-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole?
The IUPAC name of 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole (CID 162380961) is 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole?
The canonical SMILES for 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole is Cc1c(F)cc2c(nc(C)n2C(F)F)c1F.
What is the InChIKey of 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole?
The InChIKey is XJXQUMCTTYYYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2/c1-4-6(11)3-7-9(8(4)12)15-5(2)16(7)10(13)14/h3,10H,1-2H3.
What are the key properties of 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole?
1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole has a molecular weight of 232.18 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4,6-difluoro-2,5-dimethylbenzimidazole is sourced from PubChem (CID 162380961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).