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

C15H12F2N2O — CID 110491335

IUPAC3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3ccc(F)c(F)c32)cc1C
InChIInChI=1S/C15H12F2N2O/c1-8-3-4-10(7-9(8)2)19-14-12(18-15(19)20)6-5-11(16)13(14)17/h3-7H,1-2H3,(H,18,20)
InChIKeyWAHUVCAXNFJSNP-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.21
Rot. Bonds1

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

3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one (PubChem CID 110491335) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
PubChem CID110491335
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3ccc(F)c(F)c32)cc1C
InChIInChI=1S/C15H12F2N2O/c1-8-3-4-10(7-9(8)2)19-14-12(18-15(19)20)6-5-11(16)13(14)17/h3-7H,1-2H3,(H,18,20)
InChIKeyWAHUVCAXNFJSNP-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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Related Compounds

3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491336
3-(2,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491339
3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491340
4,5-difluoro-3-methyl-1H-benzimidazol-2-one
CID 83415019
4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
CID 83418165
3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one
CID 110491329
3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
CID 83415043
2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid
CID 110491281
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
3-(3-bromo-5-methylphenyl)-4,5-difluoro-1H-benzimidazole-2-thione
CID 107584314
4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117209238
3-(4-fluoro-3-methylphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551891

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one (CID 110491335) is 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one is Cc1ccc(-n2c(=O)[nH]c3ccc(F)c(F)c32)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The InChIKey is WAHUVCAXNFJSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-8-3-4-10(7-9(8)2)19-14-12(18-15(19)20)6-5-11(16)13(14)17/h3-7H,1-2H3,(H,18,20).
What are the key properties of 3-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
3-(3,4-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-(3,4-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 110491335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).