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

C11H13N5O2 — CID 135773311

IUPAC(NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide
SMILESCc1ccccc1/N=C/N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-9-4-2-3-5-10(9)13-8-15-7-6-12-11(15)14-16(17)18/h2-5,8H,6-7H2,1H3,(H,12,14)/b13-8+
InChIKeyQIXPPHSQRMMXBE-MDWZMJQESA-N
MW247.26 g/mol
LogP1.11
Rot. Bonds3

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

(NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide (PubChem CID 135773311) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide
PubChem CID135773311
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide
SMILESCc1ccccc1/N=C/N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-9-4-2-3-5-10(9)13-8-15-7-6-12-11(15)14-16(17)18/h2-5,8H,6-7H2,1H3,(H,12,14)/b13-8+
InChIKeyQIXPPHSQRMMXBE-MDWZMJQESA-N
XLogP1.11
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.11
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-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide (CID 135773311) is (NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide is Cc1ccccc1/N=C/N1CCN/C1=N/[N+](=O)[O-].
What is the InChIKey of (NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is QIXPPHSQRMMXBE-MDWZMJQESA-N. The full InChI is InChI=1S/C11H13N5O2/c1-9-4-2-3-5-10(9)13-8-15-7-6-12-11(15)14-16(17)18/h2-5,8H,6-7H2,1H3,(H,12,14)/b13-8+.
What are the key properties of (NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide?
(NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 247.26 g/mol, XLogP of 1.11, 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-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 135773311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).