N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide

C19H17F2N5O4 — CID 135634616

IUPACN-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
SMILESO=C(CC1N=C(N/N=C/c2ccccc2O)NC1=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H17F2N5O4/c20-18(21)30-15-8-4-2-6-12(15)23-16(28)9-13-17(29)25-19(24-13)26-22-10-11-5-1-3-7-14(11)27/h1-8,10,13,18,27H,9H2,(H,23,28)(H2,24,25,26,29)/b22-10+
InChIKeyLJADDZLRYFONOE-LSHDLFTRSA-N
MW417.37 g/mol
LogP1.80
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide

N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (PubChem CID 135634616) has the molecular formula C19H17F2N5O4 and a molecular weight of 417.37 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
PubChem CID135634616
Molecular FormulaC19H17F2N5O4
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
SMILESO=C(CC1N=C(N/N=C/c2ccccc2O)NC1=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H17F2N5O4/c20-18(21)30-15-8-4-2-6-12(15)23-16(28)9-13-17(29)25-19(24-13)26-22-10-11-5-1-3-7-14(11)27/h1-8,10,13,18,27H,9H2,(H,23,28)(H2,24,25,26,29)/b22-10+
InChIKeyLJADDZLRYFONOE-LSHDLFTRSA-N
XLogP1.80
TPSA124.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 136887424
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-(2-chlorophenyl)acetamide
CID 52902927
2-[(4R)-2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 95390661
N-(2-chlorophenyl)-2-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 71964703
2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
CID 95391021
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,4-difluorophenyl)acetamide
CID 52902360
2-[2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53368977
N-(2,4-dichlorophenyl)-2-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370231
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882962

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (CID 135634616) is N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide is O=C(CC1N=C(N/N=C/c2ccccc2O)NC1=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The InChIKey is LJADDZLRYFONOE-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H17F2N5O4/c20-18(21)30-15-8-4-2-6-12(15)23-16(28)9-13-17(29)25-19(24-13)26-22-10-11-5-1-3-7-14(11)27/h1-8,10,13,18,27H,9H2,(H,23,28)(H2,24,25,26,29)/b22-10+.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide has a molecular weight of 417.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide is sourced from PubChem (CID 135634616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).