4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one

C10H10F2N2O — CID 83418165

IUPAC4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C10H10F2N2O/c1-5(2)14-9-7(13-10(14)15)4-3-6(11)8(9)12/h3-5H,1-2H3,(H,13,15)
InChIKeyOWWXMEBCHRXXTH-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.19
Rot. Bonds1

About 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one

4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 83418165) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID83418165
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C10H10F2N2O/c1-5(2)14-9-7(13-10(14)15)4-3-6(11)8(9)12/h3-5H,1-2H3,(H,13,15)
InChIKeyOWWXMEBCHRXXTH-UHFFFAOYSA-N
XLogP2.19
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
2-Hydroxy benzimidazole
CID 11985
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
N-phenylpyrrolidine-1-carboxamide
CID 791811
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
1-Phenylimidazolidin-2-one
CID 255273

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one (CID 83418165) is 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2ccc(F)c(F)c21.
What is the InChIKey of 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is OWWXMEBCHRXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-5(2)14-9-7(13-10(14)15)4-3-6(11)8(9)12/h3-5H,1-2H3,(H,13,15).
What are the key properties of 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one?
4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 212.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 83418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).