3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one

C15H12F2N2O — CID 110491340

IUPAC3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
SMILESCc1cccc(C)c1-n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C15H12F2N2O/c1-8-4-3-5-9(2)13(8)19-14-11(18-15(19)20)7-6-10(16)12(14)17/h3-7H,1-2H3,(H,18,20)
InChIKeyZGOLYRRMJQDRHW-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.21
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one

3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one (PubChem CID 110491340) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
PubChem CID110491340
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
SMILESCc1cccc(C)c1-n1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C15H12F2N2O/c1-8-4-3-5-9(2)13(8)19-14-11(18-15(19)20)7-6-10(16)12(14)17/h3-7H,1-2H3,(H,18,20)
InChIKeyZGOLYRRMJQDRHW-UHFFFAOYSA-N
XLogP3.21
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one (CID 110491340) is 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one is Cc1cccc(C)c1-n1c(=O)[nH]c2ccc(F)c(F)c21.
What is the InChIKey of 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The InChIKey is ZGOLYRRMJQDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-8-4-3-5-9(2)13(8)19-14-11(18-15(19)20)7-6-10(16)12(14)17/h3-7H,1-2H3,(H,18,20).
What are the key properties of 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one has a molecular weight of 274.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 110491340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).