2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile

C14H11FN4O — CID 75829663

IUPAC2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile
SMILESCC1=NC(C(c2ccccc2F)C(C#N)C#N)C(=O)N1
InChIInChI=1S/C14H11FN4O/c1-8-18-13(14(20)19-8)12(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12-13H,1H3,(H,18,19,20)
InChIKeyFPXULFXSYKNXJT-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.49
Rot. Bonds3

About 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile

2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile (PubChem CID 75829663) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile
PubChem CID75829663
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile
SMILESCC1=NC(C(c2ccccc2F)C(C#N)C#N)C(=O)N1
InChIInChI=1S/C14H11FN4O/c1-8-18-13(14(20)19-8)12(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12-13H,1H3,(H,18,19,20)
InChIKeyFPXULFXSYKNXJT-UHFFFAOYSA-N
XLogP1.49
TPSA89.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172459830
CID 172459830
5-Ethyl-5-(4-fluorophenyl)-2-methyl-1H-imidazol-4(5H)-one
CID 45095382
5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59317958
4-(4-fluorophenyl)-2-methyl-4-propyl-1H-imidazol-5-one
CID 68979776
4-(4-Fluorophenyl)-2-methyl-1,4-dihydroimidazol-5-one
CID 90868415
2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
CID 91256497
2-[[2-[1-Fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide
CID 137283864
2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
CID 163658922
2-(1-amino-2,2-dimethylpropyl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79486996
2-(1-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79487087
2-(1-amino-2,2-dimethylpropyl)-5-(2-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79487088
5-(3-fluorophenyl)-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
CID 79500784

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile?
The IUPAC name of 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile (CID 75829663) is 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile?
The canonical SMILES for 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile is CC1=NC(C(c2ccccc2F)C(C#N)C#N)C(=O)N1.
What is the InChIKey of 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile?
The InChIKey is FPXULFXSYKNXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-8-18-13(14(20)19-8)12(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12-13H,1H3,(H,18,19,20).
What are the key properties of 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile?
2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile has a molecular weight of 270.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile is sourced from PubChem (CID 75829663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).