1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C12H13IN4O — CID 168631211

IUPAC1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cccc(I)c1C=Nn1cc(C)nc1N
InChIInChI=1S/C12H13IN4O/c1-8-7-17(12(14)16-8)15-6-9-10(13)4-3-5-11(9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyVYKSQIJNIKPQDX-UHFFFAOYSA-N
MW356.17 g/mol
LogP2.27
Rot. Bonds3

About 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168631211) has the molecular formula C12H13IN4O and a molecular weight of 356.17 g/mol. Its IUPAC name is 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168631211
Molecular FormulaC12H13IN4O
Molecular Weight356.17 g/mol
Exact Mass356.01
IUPAC Name1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cccc(I)c1C=Nn1cc(C)nc1N
InChIInChI=1S/C12H13IN4O/c1-8-7-17(12(14)16-8)15-6-9-10(13)4-3-5-11(9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyVYKSQIJNIKPQDX-UHFFFAOYSA-N
XLogP2.27
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[[2-methoxy-6-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631247
1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628519
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-iodo-6-methoxyphenol
CID 168630802
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628488
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-iodo-6-methoxyphenyl] benzoate
CID 168630514
1-[(5-bromo-3-iodo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630534
1-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629432
1-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630518
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629270

Frequently Asked Questions

What is the IUPAC name of 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168631211) is 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1cccc(I)c1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is VYKSQIJNIKPQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O/c1-8-7-17(12(14)16-8)15-6-9-10(13)4-3-5-11(9)18-2/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 356.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168631211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).