1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole

C9H6F4N2 — CID 175742678

IUPAC1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
SMILESCc1nc2c(F)cc(F)cc2n1C(F)F
InChIInChI=1S/C9H6F4N2/c1-4-14-8-6(11)2-5(10)3-7(8)15(4)9(12)13/h2-3,9H,1H3
InChIKeyCFAOPPADWLNVNZ-UHFFFAOYSA-N
MW218.15 g/mol
LogP3.02
Rot. Bonds1

About 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole

1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole (PubChem CID 175742678) has the molecular formula C9H6F4N2 and a molecular weight of 218.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
PubChem CID175742678
Molecular FormulaC9H6F4N2
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Name1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
SMILESCc1nc2c(F)cc(F)cc2n1C(F)F
InChIInChI=1S/C9H6F4N2/c1-4-14-8-6(11)2-5(10)3-7(8)15(4)9(12)13/h2-3,9H,1H3
InChIKeyCFAOPPADWLNVNZ-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
2-(difluoromethyl)-1H-1,3-benzodiazole
CID 597703
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CID 415665
2-(perfluoropropyl)-1H-benzo[d]imidazole
CID 350591
1-Phenyl-1H-benzoimidazole
CID 606669
Ethanol, 1-(1-methyl-2-benzimidazolyl)-
CID 97831
2-Propyl-1H-benzimidazole
CID 21624

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole?
The IUPAC name of 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole (CID 175742678) is 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole?
The canonical SMILES for 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole is Cc1nc2c(F)cc(F)cc2n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole?
The InChIKey is CFAOPPADWLNVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2/c1-4-14-8-6(11)2-5(10)3-7(8)15(4)9(12)13/h2-3,9H,1H3.
What are the key properties of 1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole?
1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole has a molecular weight of 218.15 g/mol, XLogP of 3.02, 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-methylbenzimidazole is sourced from PubChem (CID 175742678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).