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

C17H16N4O — CID 6858585

IUPAC1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine
SMILESCOc1ccc(/C=N/n2cc(-c3ccccc3)nc2N)cc1
InChIInChI=1S/C17H16N4O/c1-22-15-9-7-13(8-10-15)11-19-21-12-16(20-17(21)18)14-5-3-2-4-6-14/h2-12H,1H3,(H2,18,20)/b19-11+
InChIKeyKUECPEXHYGBZEI-YBFXNURJSA-N
MW292.34 g/mol
LogP3.02
Rot. Bonds4

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

1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine (PubChem CID 6858585) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine
PubChem CID6858585
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine
SMILESCOc1ccc(/C=N/n2cc(-c3ccccc3)nc2N)cc1
InChIInChI=1S/C17H16N4O/c1-22-15-9-7-13(8-10-15)11-19-21-12-16(20-17(21)18)14-5-3-2-4-6-14/h2-12H,1H3,(H2,18,20)/b19-11+
InChIKeyKUECPEXHYGBZEI-YBFXNURJSA-N
XLogP3.02
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine?
The IUPAC name of 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine (CID 6858585) is 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine is COc1ccc(/C=N/n2cc(-c3ccccc3)nc2N)cc1.
What is the InChIKey of 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine?
The InChIKey is KUECPEXHYGBZEI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-9-7-13(8-10-15)11-19-21-12-16(20-17(21)18)14-5-3-2-4-6-14/h2-12H,1H3,(H2,18,20)/b19-11+.
What are the key properties of 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine?
1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine is sourced from PubChem (CID 6858585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).