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

C18H15F2N5O3 — CID 135634651

IUPACN-(3,4-difluorophenyl)-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)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N5O3/c19-12-6-5-11(7-13(12)20)22-16(27)8-14-17(28)24-18(23-14)25-21-9-10-3-1-2-4-15(10)26/h1-7,9,14,26H,8H2,(H,22,27)(H2,23,24,25,28)/b21-9+
InChIKeyYNTQXZRIPRVXNV-ZVBGSRNCSA-N
MW387.35 g/mol
LogP1.48
Rot. Bonds5

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

N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (PubChem CID 135634651) has the molecular formula C18H15F2N5O3 and a molecular weight of 387.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
PubChem CID135634651
Molecular FormulaC18H15F2N5O3
Molecular Weight387.35 g/mol
Exact Mass387.11
IUPAC NameN-(3,4-difluorophenyl)-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)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N5O3/c19-12-6-5-11(7-13(12)20)22-16(27)8-14-17(28)24-18(23-14)25-21-9-10-3-1-2-4-15(10)26/h1-7,9,14,26H,8H2,(H,22,27)(H2,23,24,25,28)/b21-9+
InChIKeyYNTQXZRIPRVXNV-ZVBGSRNCSA-N
XLogP1.48
TPSA115.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide (CID 135634651) is N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-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)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
The InChIKey is YNTQXZRIPRVXNV-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H15F2N5O3/c19-12-6-5-11(7-13(12)20)22-16(27)8-14-17(28)24-18(23-14)25-21-9-10-3-1-2-4-15(10)26/h1-7,9,14,26H,8H2,(H,22,27)(H2,23,24,25,28)/b21-9+.
What are the key properties of N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide?
N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide has a molecular weight of 387.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide is sourced from PubChem (CID 135634651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).