4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine

C16H14N6O3 — CID 168631151

IUPAC4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)c(N)n1
InChIInChI=1S/C16H14N6O3/c1-11-10-21(16(17)20-11)19-9-12-4-6-13(7-5-12)25-15-14(22(23)24)3-2-8-18-15/h2-10H,1H3,(H2,17,20)
InChIKeyMETVUEKHIHYSAA-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.75
Rot. Bonds5

About 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168631151) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine
PubChem CID168631151
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)c(N)n1
InChIInChI=1S/C16H14N6O3/c1-11-10-21(16(17)20-11)19-9-12-4-6-13(7-5-12)25-15-14(22(23)24)3-2-8-18-15/h2-10H,1H3,(H2,17,20)
InChIKeyMETVUEKHIHYSAA-UHFFFAOYSA-N
XLogP2.75
TPSA121.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168629881
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629560
4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine
CID 168631115
4-methyl-1-[(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]imidazol-2-amine
CID 168630983
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
1-[(2-bromo-5-fluoro-4-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631357
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine (CID 168631151) is 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is METVUEKHIHYSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c1-11-10-21(16(17)20-11)19-9-12-4-6-13(7-5-12)25-15-14(22(23)24)3-2-8-18-15/h2-10H,1H3,(H2,17,20).
What are the key properties of 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 338.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168631151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).