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

C8H9FN2 — CID 142910098

IUPAC1-fluoro-2-methyl-5,6-dihydrobenzimidazole
SMILESCc1nc2c(n1F)=CCCC=2
InChIInChI=1S/C8H9FN2/c1-6-10-7-4-2-3-5-8(7)11(6)9/h4-5H,2-3H2,1H3
InChIKeyAOVWTUKDLWCAOJ-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.28
Rot. Bonds

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

1-fluoro-2-methyl-5,6-dihydrobenzimidazole (PubChem CID 142910098) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 1-fluoro-2-methyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name1-fluoro-2-methyl-5,6-dihydrobenzimidazole
PubChem CID142910098
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name1-fluoro-2-methyl-5,6-dihydrobenzimidazole
SMILESCc1nc2c(n1F)=CCCC=2
InChIInChI=1S/C8H9FN2/c1-6-10-7-4-2-3-5-8(7)11(6)9/h4-5H,2-3H2,1H3
InChIKeyAOVWTUKDLWCAOJ-UHFFFAOYSA-N
XLogP0.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 144315828
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 145497300
Ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159779
2-(Difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159772
1-Methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159780
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
2-methyl-5,6-dihydro-1H-benzimidazole
CID 68273979
2-Ethyl-1-methyl-5,6-dihydrobenzimidazole
CID 134342627
(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole
CID 135270852
2-ethyl-5,6-dihydro-1H-benzimidazole
CID 141790727
1,2-Dimethyl-5,6-dihydrobenzimidazole
CID 142910084
ethane;2-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen
CID 143489798

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-5,6-dihydrobenzimidazole?
The IUPAC name of 1-fluoro-2-methyl-5,6-dihydrobenzimidazole (CID 142910098) is 1-fluoro-2-methyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 1-fluoro-2-methyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 1-fluoro-2-methyl-5,6-dihydrobenzimidazole is Cc1nc2c(n1F)=CCCC=2.
What is the InChIKey of 1-fluoro-2-methyl-5,6-dihydrobenzimidazole?
The InChIKey is AOVWTUKDLWCAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-6-10-7-4-2-3-5-8(7)11(6)9/h4-5H,2-3H2,1H3.
What are the key properties of 1-fluoro-2-methyl-5,6-dihydrobenzimidazole?
1-fluoro-2-methyl-5,6-dihydrobenzimidazole has a molecular weight of 152.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 142910098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).