6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole

C8H8F2N2 — CID 149388956

IUPAC6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)C(F)C(F)C=C2
InChIInChI=1S/C8H8F2N2/c1-4-11-6-3-2-5(9)7(10)8(6)12-4/h2-3,5,7H,1H3,(H,11,12)
InChIKeyYNDNGKUVCPLWOJ-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.09
Rot. Bonds

About 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole

6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole (PubChem CID 149388956) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole
PubChem CID149388956
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)C(F)C(F)C=C2
InChIInChI=1S/C8H8F2N2/c1-4-11-6-3-2-5(9)7(10)8(6)12-4/h2-3,5,7H,1H3,(H,11,12)
InChIKeyYNDNGKUVCPLWOJ-UHFFFAOYSA-N
XLogP2.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole?
The IUPAC name of 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole (CID 149388956) is 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole.
What is the SMILES notation for 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole?
The canonical SMILES for 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole is Cc1nc2c([nH]1)C(F)C(F)C=C2.
What is the InChIKey of 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole?
The InChIKey is YNDNGKUVCPLWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2/c1-4-11-6-3-2-5(9)7(10)8(6)12-4/h2-3,5,7H,1H3,(H,11,12).
What are the key properties of 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole?
6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole has a molecular weight of 170.16 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole is sourced from PubChem (CID 149388956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).