1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone

C10H8F2N2O — CID 84621348

IUPAC1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2c(F)cc(F)cc2n1C
InChIInChI=1S/C10H8F2N2O/c1-5(15)10-13-9-7(12)3-6(11)4-8(9)14(10)2/h3-4H,1-2H3
InChIKeyHHYHWAFKDVELPI-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.05
Rot. Bonds1

About 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone

1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone (PubChem CID 84621348) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone
PubChem CID84621348
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2c(F)cc(F)cc2n1C
InChIInChI=1S/C10H8F2N2O/c1-5(15)10-13-9-7(12)3-6(11)4-8(9)14(10)2/h3-4H,1-2H3
InChIKeyHHYHWAFKDVELPI-UHFFFAOYSA-N
XLogP2.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84634205
methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate
CID 171655351
4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole
CID 84634250
1-(5-chloro-7-fluoro-1-methylbenzimidazol-2-yl)ethanone
CID 178090088
2-[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]-2-methylpropanamide
CID 115509407
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
6,8-difluoro-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 143812494
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
4,6-difluoro-1-hydroxybenzimidazole
CID 10607229
2-[1-(dimethylamino)-4,6-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 83018087
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776
1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone
CID 130437789

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone (CID 84621348) is 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone is CC(=O)c1nc2c(F)cc(F)cc2n1C.
What is the InChIKey of 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is HHYHWAFKDVELPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-5(15)10-13-9-7(12)3-6(11)4-8(9)14(10)2/h3-4H,1-2H3.
What are the key properties of 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone?
1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 210.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 84621348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).