N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide

C11H13ClN4O3 — CID 14672938

IUPACN-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESO=[N+]([O-])NC1=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 N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide

N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide (PubChem CID 14672938) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide
PubChem CID14672938
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC NameN-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESO=[N+]([O-])NC1=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 Acceptors5
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 ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide (CID 14672938) is N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide is O=[N+]([O-])NC1=NCCN1CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]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 N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide?
N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide has a molecular weight of 284.70 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide is sourced from PubChem (CID 14672938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).