1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile

C19H15FN4O2 — CID 162666621

IUPAC1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile
SMILESCOc1ccc(/C=N/c2c(C#N)ncn2Cc2ccc(F)cc2)cc1O
InChIInChI=1S/C19H15FN4O2/c1-26-18-7-4-14(8-17(18)25)10-22-19-16(9-21)23-12-24(19)11-13-2-5-15(20)6-3-13/h2-8,10,12,25H,11H2,1H3/b22-10+
InChIKeyFIUQPTRSHIHDAU-LSHDLFTRSA-N
MW350.35 g/mol
LogP3.41
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile

1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile (PubChem CID 162666621) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile
PubChem CID162666621
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile
SMILESCOc1ccc(/C=N/c2c(C#N)ncn2Cc2ccc(F)cc2)cc1O
InChIInChI=1S/C19H15FN4O2/c1-26-18-7-4-14(8-17(18)25)10-22-19-16(9-21)23-12-24(19)11-13-2-5-15(20)6-3-13/h2-8,10,12,25H,11H2,1H3/b22-10+
InChIKeyFIUQPTRSHIHDAU-LSHDLFTRSA-N
XLogP3.41
TPSA83.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile (CID 162666621) is 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile is COc1ccc(/C=N/c2c(C#N)ncn2Cc2ccc(F)cc2)cc1O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The InChIKey is FIUQPTRSHIHDAU-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-26-18-7-4-14(8-17(18)25)10-22-19-16(9-21)23-12-24(19)11-13-2-5-15(20)6-3-13/h2-8,10,12,25H,11H2,1H3/b22-10+.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile has a molecular weight of 350.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile is sourced from PubChem (CID 162666621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).