1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one

C10H10F2N2O — CID 115978272

IUPAC1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(F)F)c2ccccc21
InChIInChI=1S/C10H10F2N2O/c1-13-7-4-2-3-5-8(7)14(10(13)15)6-9(11)12/h2-5,9H,6H2,1H3
InChIKeyGXFWXTKOCMDLIX-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.61
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one

1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one (PubChem CID 115978272) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
PubChem CID115978272
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(F)F)c2ccccc21
InChIInChI=1S/C10H10F2N2O/c1-13-7-4-2-3-5-8(7)14(10(13)15)6-9(11)12/h2-5,9H,6H2,1H3
InChIKeyGXFWXTKOCMDLIX-UHFFFAOYSA-N
XLogP1.61
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275
1-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
CID 97009751
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
CID 115591774
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
5-(3-methyl-2-oxobenzimidazol-1-yl)pentanenitrile
CID 115576596
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
1-[(Z)-4-chlorobut-2-enyl]-3-methylbenzimidazol-2-one
CID 59075602

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one (CID 115978272) is 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(F)F)c2ccccc21.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one?
The InChIKey is GXFWXTKOCMDLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-13-7-4-2-3-5-8(7)14(10(13)15)6-9(11)12/h2-5,9H,6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one?
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one is sourced from PubChem (CID 115978272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).