N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide

C11H10N6O2 — CID 19756461

IUPACN-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESN#Cc1ccccc1/N=C/N1CCN=C1N[N+](=O)[O-]
InChIInChI=1S/C11H10N6O2/c12-7-9-3-1-2-4-10(9)14-8-16-6-5-13-11(16)15-17(18)19/h1-4,8H,5-6H2,(H,13,15)/b14-8+
InChIKeyLFPPQCCAMCWTMP-RIYZIHGNSA-N
MW258.24 g/mol
LogP0.67
Rot. Bonds3

About N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide

N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide (PubChem CID 19756461) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide
PubChem CID19756461
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC NameN-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESN#Cc1ccccc1/N=C/N1CCN=C1N[N+](=O)[O-]
InChIInChI=1S/C11H10N6O2/c12-7-9-3-1-2-4-10(9)14-8-16-6-5-13-11(16)15-17(18)19/h1-4,8H,5-6H2,(H,13,15)/b14-8+
InChIKeyLFPPQCCAMCWTMP-RIYZIHGNSA-N
XLogP0.67
TPSA106.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide?
The IUPAC name of N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide (CID 19756461) is N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide.
What is the SMILES notation for N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide?
The canonical SMILES for N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide is N#Cc1ccccc1/N=C/N1CCN=C1N[N+](=O)[O-].
What is the InChIKey of N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide?
The InChIKey is LFPPQCCAMCWTMP-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H10N6O2/c12-7-9-3-1-2-4-10(9)14-8-16-6-5-13-11(16)15-17(18)19/h1-4,8H,5-6H2,(H,13,15)/b14-8+.
What are the key properties of N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide?
N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide has a molecular weight of 258.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide is sourced from PubChem (CID 19756461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).