(NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide

C11H10F3N5O2 — CID 135773316

IUPAC(NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/NCCN1/C=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)8-3-1-2-4-9(8)16-7-18-6-5-15-10(18)17-19(20)21/h1-4,7H,5-6H2,(H,15,17)/b16-7+
InChIKeyGUGNBFKYTJPIQY-FRKPEAEDSA-N
MW301.23 g/mol
LogP1.82
Rot. Bonds3

About (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide

(NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide (PubChem CID 135773316) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide
PubChem CID135773316
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name(NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/NCCN1/C=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)8-3-1-2-4-9(8)16-7-18-6-5-15-10(18)17-19(20)21/h1-4,7H,5-6H2,(H,15,17)/b16-7+
InChIKeyGUGNBFKYTJPIQY-FRKPEAEDSA-N
XLogP1.82
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide (CID 135773316) is (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide is O=[N+]([O-])/N=C1/NCCN1/C=N/c1ccccc1C(F)(F)F.
What is the InChIKey of (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is GUGNBFKYTJPIQY-FRKPEAEDSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c12-11(13,14)8-3-1-2-4-9(8)16-7-18-6-5-15-10(18)17-19(20)21/h1-4,7H,5-6H2,(H,15,17)/b16-7+.
What are the key properties of (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide?
(NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 301.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 135773316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).