6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole

C9H11FN2 — CID 137466790

IUPAC6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=NC2CC(C)=C(F)C=C2N1
InChIInChI=1S/C9H11FN2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8/h4,8H,3H2,1-2H3,(H,11,12)
InChIKeyWITWSSWJDXALIY-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.91
Rot. Bonds

About 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole

6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole (PubChem CID 137466790) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
PubChem CID137466790
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=NC2CC(C)=C(F)C=C2N1
InChIInChI=1S/C9H11FN2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8/h4,8H,3H2,1-2H3,(H,11,12)
InChIKeyWITWSSWJDXALIY-UHFFFAOYSA-N
XLogP1.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole (CID 137466790) is 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole is CC1=NC2CC(C)=C(F)C=C2N1.
What is the InChIKey of 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is WITWSSWJDXALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-5-3-8-9(4-7(5)10)12-6(2)11-8/h4,8H,3H2,1-2H3,(H,11,12).
What are the key properties of 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 166.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 137466790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).