6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole

C9H11FN2 — CID 123456855

IUPAC6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)CC(C)(F)C=C2
InChIInChI=1S/C9H11FN2/c1-6-11-7-3-4-9(2,10)5-8(7)12-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyMBHADNMMKJCAKQ-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.02
Rot. Bonds

About 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole

6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole (PubChem CID 123456855) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole.

Molecular Properties

Compound Name6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole
PubChem CID123456855
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)CC(C)(F)C=C2
InChIInChI=1S/C9H11FN2/c1-6-11-7-3-4-9(2,10)5-8(7)12-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyMBHADNMMKJCAKQ-UHFFFAOYSA-N
XLogP2.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole?
The IUPAC name of 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole (CID 123456855) is 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole.
What is the SMILES notation for 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole?
The canonical SMILES for 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole is Cc1nc2c([nH]1)CC(C)(F)C=C2.
What is the InChIKey of 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole?
The InChIKey is MBHADNMMKJCAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-11-7-3-4-9(2,10)5-8(7)12-6/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole?
6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole has a molecular weight of 166.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole is sourced from PubChem (CID 123456855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).