2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole

C9H7F3N2 — CID 130051092

IUPAC2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole
SMILESCc1cc(F)c2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C9H7F3N2/c1-4-2-5(10)7-6(3-4)13-9(14-7)8(11)12/h2-3,8H,1H3,(H,13,14)
InChIKeySADXVFOUTZNPTG-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.95
Rot. Bonds1

About 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole

2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole (PubChem CID 130051092) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole
PubChem CID130051092
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole
SMILESCc1cc(F)c2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C9H7F3N2/c1-4-2-5(10)7-6(3-4)13-9(14-7)8(11)12/h2-3,8H,1H3,(H,13,14)
InChIKeySADXVFOUTZNPTG-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole (CID 130051092) is 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole is Cc1cc(F)c2nc(C(F)F)[nH]c2c1.
What is the InChIKey of 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole?
The InChIKey is SADXVFOUTZNPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-4-2-5(10)7-6(3-4)13-9(14-7)8(11)12/h2-3,8H,1H3,(H,13,14).
What are the key properties of 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole?
2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole has a molecular weight of 200.16 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-fluoro-6-methyl-1H-benzimidazole is sourced from PubChem (CID 130051092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).