5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one

C12H15FN4O — CID 170216378

IUPAC5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one
SMILESCC(C)=NNc1cc2c(cc1F)n(C)c(=O)n2C
InChIInChI=1S/C12H15FN4O/c1-7(2)14-15-9-6-11-10(5-8(9)13)16(3)12(18)17(11)4/h5-6,15H,1-4H3
InChIKeyCLLOLFXWBSJTTB-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.82
Rot. Bonds2

About 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one

5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one (PubChem CID 170216378) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one
PubChem CID170216378
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one
SMILESCC(C)=NNc1cc2c(cc1F)n(C)c(=O)n2C
InChIInChI=1S/C12H15FN4O/c1-7(2)14-15-9-6-11-10(5-8(9)13)16(3)12(18)17(11)4/h5-6,15H,1-4H3
InChIKeyCLLOLFXWBSJTTB-UHFFFAOYSA-N
XLogP1.82
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
5-Amino-1,3-dihydro-1-methyl-2H-benzimidazol-2-one
CID 15508437
5-Amino-6-dimethylamino-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one
CID 6500465
3-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)-1-(4-fluorophenyl)urea
CID 49251821
6-Amino-1-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 45078280
5-Amino-6-fluoro-1,3-dimethyl-1H-benzo[D]imidazol-2(3H)-one
CID 118091869
5-Amino-3-(difluoromethyl)-1-methylbenzimidazol-2-one
CID 162519811
2-[(6-Fluoro-1,3-dimethyl-2-oxobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
CID 163633927
2-[[3-(Difluoromethyl)-2-oxo-1-propan-2-ylbenzimidazol-5-yl]hydrazinylidene]propanedinitrile
CID 164097235
2-[[3-(Difluoromethyl)-1-methyl-2-oxobenzimidazol-5-yl]hydrazinylidene]propanedinitrile
CID 164128927
2-[[1,3-Bis(difluoromethyl)-2-oxobenzimidazol-5-yl]hydrazinylidene]propanedinitrile
CID 166903518
2-[[3-(Difluoromethyl)-1-ethyl-2-oxobenzimidazol-5-yl]hydrazinylidene]propanedinitrile
CID 166903581

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
The IUPAC name of 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one (CID 170216378) is 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
The canonical SMILES for 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one is CC(C)=NNc1cc2c(cc1F)n(C)c(=O)n2C.
What is the InChIKey of 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
The InChIKey is CLLOLFXWBSJTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7(2)14-15-9-6-11-10(5-8(9)13)16(3)12(18)17(11)4/h5-6,15H,1-4H3.
What are the key properties of 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one has a molecular weight of 250.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-6-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one is sourced from PubChem (CID 170216378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).