1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one

C14H15FN4O — CID 176988483

IUPAC1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one
SMILESC=C1NC(N/N=C/c2ccc(F)cc2)=NC1CC(C)=O
InChIInChI=1S/C14H15FN4O/c1-9(20)7-13-10(2)17-14(18-13)19-16-8-11-3-5-12(15)6-4-11/h3-6,8,13H,2,7H2,1H3,(H2,17,18,19)/b16-8+
InChIKeyKBJGSHSTJHZAQB-LZYBPNLTSA-N
MW274.30 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one

1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one (PubChem CID 176988483) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one
PubChem CID176988483
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one
SMILESC=C1NC(N/N=C/c2ccc(F)cc2)=NC1CC(C)=O
InChIInChI=1S/C14H15FN4O/c1-9(20)7-13-10(2)17-14(18-13)19-16-8-11-3-5-12(15)6-4-11/h3-6,8,13H,2,7H2,1H3,(H2,17,18,19)/b16-8+
InChIKeyKBJGSHSTJHZAQB-LZYBPNLTSA-N
XLogP1.57
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
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

1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]butan-2-one
CID 176988471
2-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]acetyl chloride
CID 176988472
3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol
CID 176988475
1-[(E)-(2,6-difluorophenyl)methylideneamino]-3-ethenyl-2-(4-oxopentan-2-yl)guanidine
CID 176988480
1-[2-[(2E)-2-[(4-aminophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one
CID 176988449

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one (CID 176988483) is 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one is C=C1NC(N/N=C/c2ccc(F)cc2)=NC1CC(C)=O.
What is the InChIKey of 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one?
The InChIKey is KBJGSHSTJHZAQB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-9(20)7-13-10(2)17-14(18-13)19-16-8-11-3-5-12(15)6-4-11/h3-6,8,13H,2,7H2,1H3,(H2,17,18,19)/b16-8+.
What are the key properties of 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one?
1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one is sourced from PubChem (CID 176988483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).