2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide

C19H19N5O4 — CID 135634438

IUPAC2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2N=C(N/N=C/c3ccc(O)cc3)NC2=O)c1
InChIInChI=1S/C19H19N5O4/c1-28-15-4-2-3-13(9-15)21-17(26)10-16-18(27)23-19(22-16)24-20-11-12-5-7-14(25)8-6-12/h2-9,11,16,25H,10H2,1H3,(H,21,26)(H2,22,23,24,27)/b20-11+
InChIKeyRZRLKKIOMPZTHY-RGVLZGJSSA-N
MW381.39 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide

2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 135634438) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID135634438
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2N=C(N/N=C/c3ccc(O)cc3)NC2=O)c1
InChIInChI=1S/C19H19N5O4/c1-28-15-4-2-3-13(9-15)21-17(26)10-16-18(27)23-19(22-16)24-20-11-12-5-7-14(25)8-6-12/h2-9,11,16,25H,10H2,1H3,(H,21,26)(H2,22,23,24,27)/b20-11+
InChIKeyRZRLKKIOMPZTHY-RGVLZGJSSA-N
XLogP1.21
TPSA124.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(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
2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95391874
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-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chlorophenyl)acetamide
CID 52902927
2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
CID 95391021
2-(2,5-dioxoimidazolidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 47150004
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 135634616
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide (CID 135634438) is 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CC2N=C(N/N=C/c3ccc(O)cc3)NC2=O)c1.
What is the InChIKey of 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is RZRLKKIOMPZTHY-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-28-15-4-2-3-13(9-15)21-17(26)10-16-18(27)23-19(22-16)24-20-11-12-5-7-14(25)8-6-12/h2-9,11,16,25H,10H2,1H3,(H,21,26)(H2,22,23,24,27)/b20-11+.
What are the key properties of 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide?
2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 381.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 135634438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).