4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine

C18H18N4O2 — CID 6858586

IUPAC4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCOc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2N)cc1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)11-20-22-12-17(21-18(22)19)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H2,19,21)/b20-11+
InChIKeyGJHJPGBFQCLNNC-RGVLZGJSSA-N
MW322.37 g/mol
LogP3.03
Rot. Bonds5

About 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine

4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine (PubChem CID 6858586) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine
PubChem CID6858586
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCOc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2N)cc1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)11-20-22-12-17(21-18(22)19)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H2,19,21)/b20-11+
InChIKeyGJHJPGBFQCLNNC-RGVLZGJSSA-N
XLogP3.03
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine (CID 6858586) is 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine is COc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is GJHJPGBFQCLNNC-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)11-20-22-12-17(21-18(22)19)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H2,19,21)/b20-11+.
What are the key properties of 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine?
4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 6858586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).