4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine

C17H15N5O3 — CID 168629881

IUPAC4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2Oc2ccccc2[N+](=O)[O-])c(N)n1
InChIInChI=1S/C17H15N5O3/c1-12-11-21(17(18)20-12)19-10-13-6-2-4-8-15(13)25-16-9-5-3-7-14(16)22(23)24/h2-11H,1H3,(H2,18,20)
InChIKeyHWIZTJCVYKWHFB-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.36
Rot. Bonds5

About 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168629881) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine
PubChem CID168629881
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2Oc2ccccc2[N+](=O)[O-])c(N)n1
InChIInChI=1S/C17H15N5O3/c1-12-11-21(17(18)20-12)19-10-13-6-2-4-8-15(13)25-16-9-5-3-7-14(16)22(23)24/h2-11H,1H3,(H2,18,20)
InChIKeyHWIZTJCVYKWHFB-UHFFFAOYSA-N
XLogP3.36
TPSA108.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] acetate
CID 168631323
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-nitrobenzoic acid
CID 168630884
4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine
CID 168631151
1-[(2-bromo-5-fluoro-4-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631357
4-methyl-1-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629566
4-methyl-1-[(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]imidazol-2-amine
CID 168630983
4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
CID 168628990
1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629560
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine (CID 168629881) is 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccccc2Oc2ccccc2[N+](=O)[O-])c(N)n1.
What is the InChIKey of 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is HWIZTJCVYKWHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-12-11-21(17(18)20-12)19-10-13-6-2-4-8-15(13)25-16-9-5-3-7-14(16)22(23)24/h2-11H,1H3,(H2,18,20).
What are the key properties of 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 337.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(2-nitrophenoxy)phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).