2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide

C19H15FN6O2 — CID 95391021

IUPAC2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(F)ccc1NC(=O)C[C@H]1N=C(N/N=C\c2ccccc2)NC1=O
InChIInChI=1S/C19H15FN6O2/c20-14-6-7-15(13(8-14)10-21)23-17(27)9-16-18(28)25-19(24-16)26-22-11-12-4-2-1-3-5-12/h1-8,11,16H,9H2,(H,23,27)(H2,24,25,26,28)/b22-11-/t16-/m1/s1
InChIKeyVIMODJIGSINARZ-OLIBUNOHSA-N
MW378.37 g/mol
LogP1.50
Rot. Bonds5

About 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide

2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide (PubChem CID 95391021) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
PubChem CID95391021
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(F)ccc1NC(=O)C[C@H]1N=C(N/N=C\c2ccccc2)NC1=O
InChIInChI=1S/C19H15FN6O2/c20-14-6-7-15(13(8-14)10-21)23-17(27)9-16-18(28)25-19(24-16)26-22-11-12-4-2-1-3-5-12/h1-8,11,16H,9H2,(H,23,27)(H2,24,25,26,28)/b22-11-/t16-/m1/s1
InChIKeyVIMODJIGSINARZ-OLIBUNOHSA-N
XLogP1.50
TPSA118.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(2-cyano-4-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 136887795
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,4-difluorophenyl)acetamide
CID 52902360
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chlorophenyl)acetamide
CID 52902927
N-(2,4-dichlorophenyl)-2-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370231
2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95391874
2-[2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53368977
N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 136887424
2-[(4S)-2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-phenylacetamide
CID 95390796
N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
CID 91662349
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide (CID 95391021) is 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide is N#Cc1cc(F)ccc1NC(=O)C[C@H]1N=C(N/N=C\c2ccccc2)NC1=O.
What is the InChIKey of 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide?
The InChIKey is VIMODJIGSINARZ-OLIBUNOHSA-N. The full InChI is InChI=1S/C19H15FN6O2/c20-14-6-7-15(13(8-14)10-21)23-17(27)9-16-18(28)25-19(24-16)26-22-11-12-4-2-1-3-5-12/h1-8,11,16H,9H2,(H,23,27)(H2,24,25,26,28)/b22-11-/t16-/m1/s1.
What are the key properties of 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide?
2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide has a molecular weight of 378.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 95391021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).