5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole

C10H13FN2 — CID 123327195

IUPAC5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)=CC(C)(C)C(F)C=2
InChIInChI=1S/C10H13FN2/c1-6-12-7-4-9(11)10(2,3)5-8(7)13-6/h4-5,9H,1-3H3,(H,12,13)
InChIKeyZVKYZHULUVJANR-UHFFFAOYSA-N
MW180.23 g/mol
LogP0.66
Rot. Bonds

About 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole

5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole (PubChem CID 123327195) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole.

Molecular Properties

Compound Name5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole
PubChem CID123327195
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole
SMILESCc1nc2c([nH]1)=CC(C)(C)C(F)C=2
InChIInChI=1S/C10H13FN2/c1-6-12-7-4-9(11)10(2,3)5-8(7)13-6/h4-5,9H,1-3H3,(H,12,13)
InChIKeyZVKYZHULUVJANR-UHFFFAOYSA-N
XLogP0.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole
CID 123522545
(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
CID 126707395
6-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 144315828
(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole
CID 145020415
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 145497300
6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 149243999
2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
CID 175894186
2-methyl-5,6-dihydro-1H-benzimidazole
CID 68273979
2,6-dimethyl-5,6-dihydro-1H-benzimidazole
CID 89510027
2-propan-2-yl-5,6-dihydro-1H-benzimidazole
CID 129018981
(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole
CID 135270852
2,6,6-Trimethyl-1,5-dihydrobenzimidazole
CID 138749559

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole?
The IUPAC name of 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole (CID 123327195) is 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole.
What is the SMILES notation for 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole?
The canonical SMILES for 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole is Cc1nc2c([nH]1)=CC(C)(C)C(F)C=2.
What is the InChIKey of 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole?
The InChIKey is ZVKYZHULUVJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-6-12-7-4-9(11)10(2,3)5-8(7)13-6/h4-5,9H,1-3H3,(H,12,13).
What are the key properties of 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole?
5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole has a molecular weight of 180.23 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole is sourced from PubChem (CID 123327195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).