3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one

C12H14F2N4O — CID 170216596

IUPAC3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one
SMILESCC(C)=NNc1ccc2c(c1)n(C(F)F)c(=O)n2C
InChIInChI=1S/C12H14F2N4O/c1-7(2)15-16-8-4-5-9-10(6-8)18(11(13)14)12(19)17(9)3/h4-6,11,16H,1-3H3
InChIKeyWBUVGFWRPJQKRZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.54
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one

3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one (PubChem CID 170216596) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one
PubChem CID170216596
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one
SMILESCC(C)=NNc1ccc2c(c1)n(C(F)F)c(=O)n2C
InChIInChI=1S/C12H14F2N4O/c1-7(2)15-16-8-4-5-9-10(6-8)18(11(13)14)12(19)17(9)3/h4-6,11,16H,1-3H3
InChIKeyWBUVGFWRPJQKRZ-UHFFFAOYSA-N
XLogP2.54
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.54
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
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,2,2-trifluoroacetamide
CID 649424
5-amino-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-one
CID 1511095
5-Amino-1,3-dihydro-1-methyl-2H-benzimidazol-2-one
CID 15508437
6-amino-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride
CID 91662830
5-Amino-6-dimethylamino-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one
CID 6500465
5-[(E)-dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one
CID 388858
6-Amino-1-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 45078280
3-methyl-4-(3,3,3-trifluoropropylamino)-1H-benzimidazol-2-one
CID 70909811
3-methyl-4-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]-1H-benzimidazol-2-one
CID 89091884
5-Amino-6-fluoro-1,3-dimethyl-1H-benzo[D]imidazol-2(3H)-one
CID 118091869
5-amino-1-methyl-3-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 118091872

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
The IUPAC name of 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one (CID 170216596) is 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one is CC(C)=NNc1ccc2c(c1)n(C(F)F)c(=O)n2C.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
The InChIKey is WBUVGFWRPJQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-7(2)15-16-8-4-5-9-10(6-8)18(11(13)14)12(19)17(9)3/h4-6,11,16H,1-3H3.
What are the key properties of 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one?
3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one has a molecular weight of 268.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-5-(2-propan-2-ylidenehydrazinyl)benzimidazol-2-one is sourced from PubChem (CID 170216596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).