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

C10H13FN2 — CID 126707475

IUPAC6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=NC2C(=CC(F)=C(C)C2C)N1
InChIInChI=1S/C10H13FN2/c1-5-6(2)10-9(4-8(5)11)12-7(3)13-10/h4,6,10H,1-3H3,(H,12,13)
InChIKeyMDDJPLIWDIWGFU-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.15
Rot. Bonds

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

6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole (PubChem CID 126707475) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole
PubChem CID126707475
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=NC2C(=CC(F)=C(C)C2C)N1
InChIInChI=1S/C10H13FN2/c1-5-6(2)10-9(4-8(5)11)12-7(3)13-10/h4,6,10H,1-3H3,(H,12,13)
InChIKeyMDDJPLIWDIWGFU-UHFFFAOYSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole (CID 126707475) is 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole is CC1=NC2C(=CC(F)=C(C)C2C)N1.
What is the InChIKey of 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is MDDJPLIWDIWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-5-6(2)10-9(4-8(5)11)12-7(3)13-10/h4,6,10H,1-3H3,(H,12,13).
What are the key properties of 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole?
6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 180.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 126707475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).