1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile

C20H17FN4O3 — CID 162649685

IUPAC1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile
SMILESCOc1cc(/C=N/c2c(C#N)ncn2-c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H17FN4O3/c1-26-17-8-13(9-18(27-2)19(17)28-3)11-23-20-16(10-22)24-12-25(20)15-6-4-14(21)5-7-15/h4-9,11-12H,1-3H3/b23-11+
InChIKeyOMJCZNGHYSUFED-FOKLQQMPSA-N
MW380.38 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile

1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile (PubChem CID 162649685) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile
PubChem CID162649685
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile
SMILESCOc1cc(/C=N/c2c(C#N)ncn2-c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H17FN4O3/c1-26-17-8-13(9-18(27-2)19(17)28-3)11-23-20-16(10-22)24-12-25(20)15-6-4-14(21)5-7-15/h4-9,11-12H,1-3H3/b23-11+
InChIKeyOMJCZNGHYSUFED-FOKLQQMPSA-N
XLogP3.66
TPSA81.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)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)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile (CID 162649685) is 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile is COc1cc(/C=N/c2c(C#N)ncn2-c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The InChIKey is OMJCZNGHYSUFED-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-26-17-8-13(9-18(27-2)19(17)28-3)11-23-20-16(10-22)24-12-25(20)15-6-4-14(21)5-7-15/h4-9,11-12H,1-3H3/b23-11+.
What are the key properties of 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile?
1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile has a molecular weight of 380.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazole-4-carbonitrile is sourced from PubChem (CID 162649685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).