(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide

C11H13ClN4O3 — CID 135804940

IUPAC(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/NCCN1CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN4O3/c12-9-1-3-10(4-2-9)19-8-7-15-6-5-13-11(15)14-16(17)18/h1-4H,5-8H2,(H,13,14)
InChIKeyRZWJLTBGLPTNGR-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.17
Rot. Bonds5

About (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide

(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide (PubChem CID 135804940) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide
PubChem CID135804940
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/NCCN1CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN4O3/c12-9-1-3-10(4-2-9)19-8-7-15-6-5-13-11(15)14-16(17)18/h1-4H,5-8H2,(H,13,14)
InChIKeyRZWJLTBGLPTNGR-UHFFFAOYSA-N
XLogP1.17
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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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Related Compounds

N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide
CID 14672938
(NE)-N-[1-[(E)-4,4,4-trifluoro-3-hydroxybut-2-enyl]imidazolidin-2-ylidene]nitramide
CID 135871408
(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 172949263
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazinan-2-ylidene]nitramide
CID 135852985
(7R)-1-[2-(4-chlorophenoxy)ethyl]-7-phenyl-1,4-diazepan-5-one
CID 94547005
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
1-chloro-4-(nitromethoxy)benzene
CID 68968293
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-4,4,5,5-tetradeuterioimidazolidin-2-ylidene]nitramide
CID 137183220
4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-nitrobenzonitrile
CID 16558707
N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide
CID 173380317
1-[3-(4-nitrophenoxy)propyl]piperazine
CID 2944313
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide (CID 135804940) is (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide is O=[N+]([O-])/N=C1/NCCN1CCOc1ccc(Cl)cc1.
What is the InChIKey of (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is RZWJLTBGLPTNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c12-9-1-3-10(4-2-9)19-8-7-15-6-5-13-11(15)14-16(17)18/h1-4H,5-8H2,(H,13,14).
What are the key properties of (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide?
(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 284.70 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 135804940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).