2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide

C14H15F2N5O — CID 137283864

IUPAC2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide
SMILESC/N=C(/N=C1\CN=C(C(C)(F)c2ccccc2F)N1)C(N)=O
InChIInChI=1S/C14H15F2N5O/c1-14(16,8-5-3-4-6-9(8)15)13-19-7-10(21-13)20-12(18-2)11(17)22/h3-6H,7H2,1-2H3,(H2,17,22)(H,18,19,20,21)
InChIKeyWHIJCVATGMRYGG-UHFFFAOYSA-N
MW307.30 g/mol
LogP0.92
Rot. Bonds2

About 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide

2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide (PubChem CID 137283864) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide.

Molecular Properties

Compound Name2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide
PubChem CID137283864
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide
SMILESC/N=C(/N=C1\CN=C(C(C)(F)c2ccccc2F)N1)C(N)=O
InChIInChI=1S/C14H15F2N5O/c1-14(16,8-5-3-4-6-9(8)15)13-19-7-10(21-13)20-12(18-2)11(17)22/h3-6H,7H2,1-2H3,(H2,17,22)(H,18,19,20,21)
InChIKeyWHIJCVATGMRYGG-UHFFFAOYSA-N
XLogP0.92
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide?
The IUPAC name of 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide (CID 137283864) is 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide.
What is the SMILES notation for 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide?
The canonical SMILES for 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide is C/N=C(/N=C1\CN=C(C(C)(F)c2ccccc2F)N1)C(N)=O.
What is the InChIKey of 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide?
The InChIKey is WHIJCVATGMRYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c1-14(16,8-5-3-4-6-9(8)15)13-19-7-10(21-13)20-12(18-2)11(17)22/h3-6H,7H2,1-2H3,(H2,17,22)(H,18,19,20,21).
What are the key properties of 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide?
2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide has a molecular weight of 307.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-fluoro-1-(2-fluorophenyl)ethyl]-1,4-dihydroimidazol-5-ylidene]amino]-2-methyliminoacetamide is sourced from PubChem (CID 137283864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).