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

C19H16F3N5O3 — CID 135632224

IUPAC2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1N=C(N/N=C/c2ccccc2O)NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O3/c20-19(21,22)12-5-3-6-13(8-12)24-16(29)9-14-17(30)26-18(25-14)27-23-10-11-4-1-2-7-15(11)28/h1-8,10,14,28H,9H2,(H,24,29)(H2,25,26,27,30)/b23-10+
InChIKeyDRWBSYFTBAJTFQ-AUEPDCJTSA-N
MW419.36 g/mol
LogP2.22
Rot. Bonds5

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

2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 135632224) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID135632224
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1N=C(N/N=C/c2ccccc2O)NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O3/c20-19(21,22)12-5-3-6-13(8-12)24-16(29)9-14-17(30)26-18(25-14)27-23-10-11-4-1-2-7-15(11)28/h1-8,10,14,28H,9H2,(H,24,29)(H2,25,26,27,30)/b23-10+
InChIKeyDRWBSYFTBAJTFQ-AUEPDCJTSA-N
XLogP2.22
TPSA115.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.22
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 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 135632224) is 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1N=C(N/N=C/c2ccccc2O)NC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DRWBSYFTBAJTFQ-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c20-19(21,22)12-5-3-6-13(8-12)24-16(29)9-14-17(30)26-18(25-14)27-23-10-11-4-1-2-7-15(11)28/h1-8,10,14,28H,9H2,(H,24,29)(H2,25,26,27,30)/b23-10+.
What are the key properties of 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 419.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135632224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).