5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one

C8H7FN2O — CID 70140559

IUPAC5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CF)cc2[nH]1
InChIInChI=1S/C8H7FN2O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,4H2,(H2,10,11,12)
InChIKeyTYRIVIYYNMWWMB-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.33
Rot. Bonds1

About 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one

5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 70140559) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID70140559
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CF)cc2[nH]1
InChIInChI=1S/C8H7FN2O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,4H2,(H2,10,11,12)
InChIKeyTYRIVIYYNMWWMB-UHFFFAOYSA-N
XLogP1.33
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745192
5-[(4-aminophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926027
5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745310
5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
CID 22745222
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 158499935
5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate
CID 90675301
5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928496
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one (CID 70140559) is 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(CF)cc2[nH]1.
What is the InChIKey of 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is TYRIVIYYNMWWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one?
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 166.15 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 70140559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).