N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide

C18H16FN5O3 — CID 136887424

IUPACN-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
SMILESO=C(C[C@@H]1N=C(N/N=C\c2ccccc2O)NC1=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN5O3/c19-12-6-2-3-7-13(12)21-16(26)9-14-17(27)23-18(22-14)24-20-10-11-5-1-4-8-15(11)25/h1-8,10,14,25H,9H2,(H,21,26)(H2,22,23,24,27)/b20-10-/t14-/m0/s1
InChIKeyRXXHRICWDHNFLH-FHOUHHFSSA-N
MW369.36 g/mol
LogP1.34
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide

N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (PubChem CID 136887424) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
PubChem CID136887424
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC NameN-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
SMILESO=C(C[C@@H]1N=C(N/N=C\c2ccccc2O)NC1=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN5O3/c19-12-6-2-3-7-13(12)21-16(26)9-14-17(27)23-18(22-14)24-20-10-11-5-1-4-8-15(11)25/h1-8,10,14,25H,9H2,(H,21,26)(H2,22,23,24,27)/b20-10-/t14-/m0/s1
InChIKeyRXXHRICWDHNFLH-FHOUHHFSSA-N
XLogP1.34
TPSA115.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 135634616
N-(2-fluorophenyl)-2-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370170
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-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95391874
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chlorophenyl)acetamide
CID 52902927
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,4-difluorophenyl)acetamide
CID 52902360
2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
CID 95391021
2-[(4R)-2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 95390661
3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide
CID 71964784
N-(2-chlorophenyl)-2-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 71964703
N-(3-chlorophenyl)-2-[(4R)-2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 136887834
2-[(4S)-2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-phenylacetamide
CID 95390796

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (CID 136887424) is N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide is O=C(C[C@@H]1N=C(N/N=C\c2ccccc2O)NC1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The InChIKey is RXXHRICWDHNFLH-FHOUHHFSSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-12-6-2-3-7-13(12)21-16(26)9-14-17(27)23-18(22-14)24-20-10-11-5-1-4-8-15(11)25/h1-8,10,14,25H,9H2,(H,21,26)(H2,22,23,24,27)/b20-10-/t14-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide has a molecular weight of 369.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide is sourced from PubChem (CID 136887424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).