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

C15H12F2N2O — CID 110491336

IUPAC3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
SMILESCc1cc(C)cc(-n2c(=O)[nH]c3ccc(F)c(F)c32)c1
InChIInChI=1S/C15H12F2N2O/c1-8-5-9(2)7-10(6-8)19-14-12(18-15(19)20)4-3-11(16)13(14)17/h3-7H,1-2H3,(H,18,20)
InChIKeyVPNFXVIKTKVPPD-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.21
Rot. Bonds1

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

3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one (PubChem CID 110491336) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
PubChem CID110491336
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
SMILESCc1cc(C)cc(-n2c(=O)[nH]c3ccc(F)c(F)c32)c1
InChIInChI=1S/C15H12F2N2O/c1-8-5-9(2)7-10(6-8)19-14-12(18-15(19)20)4-3-11(16)13(14)17/h3-7H,1-2H3,(H,18,20)
InChIKeyVPNFXVIKTKVPPD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one (CID 110491336) is 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one is Cc1cc(C)cc(-n2c(=O)[nH]c3ccc(F)c(F)c32)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
The InChIKey is VPNFXVIKTKVPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-8-5-9(2)7-10(6-8)19-14-12(18-15(19)20)4-3-11(16)13(14)17/h3-7H,1-2H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one?
3-(3,5-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-(3,5-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 110491336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).