1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C12H13IN4O — CID 168631305

IUPAC1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1I
InChIInChI=1S/C12H13IN4O/c1-8-7-17(12(14)16-8)15-6-9-3-4-10(13)11(5-9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyPDQODPGOVIXLAS-UHFFFAOYSA-N
MW356.17 g/mol
LogP2.27
Rot. Bonds3

About 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168631305) has the molecular formula C12H13IN4O and a molecular weight of 356.17 g/mol. Its IUPAC name is 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168631305
Molecular FormulaC12H13IN4O
Molecular Weight356.17 g/mol
Exact Mass356.01
IUPAC Name1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1I
InChIInChI=1S/C12H13IN4O/c1-8-7-17(12(14)16-8)15-6-9-3-4-10(13)11(5-9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyPDQODPGOVIXLAS-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-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[(2-iodo-6-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631211
1-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630518
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-iodo-6-methoxyphenyl] benzoate
CID 168630514
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168631305) is 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1cc(C=Nn2cc(C)nc2N)ccc1I.
What is the InChIKey of 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is PDQODPGOVIXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O/c1-8-7-17(12(14)16-8)15-6-9-3-4-10(13)11(5-9)18-2/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(4-iodo-3-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-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168631305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).