4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile

C24H20FN3O — CID 102495954

IUPAC4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile
SMILESCc1ccc(N2CN(c3ccc(F)cc3)CC2C(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H20FN3O/c1-17-2-10-22(11-3-17)28-16-27(21-12-8-20(25)9-13-21)15-23(28)24(29)19-6-4-18(14-26)5-7-19/h2-13,23H,15-16H2,1H3
InChIKeyKWIZZFJCZVYUQV-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.54
Rot. Bonds4

About 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile

4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile (PubChem CID 102495954) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile
PubChem CID102495954
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile
SMILESCc1ccc(N2CN(c3ccc(F)cc3)CC2C(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H20FN3O/c1-17-2-10-22(11-3-17)28-16-27(21-12-8-20(25)9-13-21)15-23(28)24(29)19-6-4-18(14-26)5-7-19/h2-13,23H,15-16H2,1H3
InChIKeyKWIZZFJCZVYUQV-UHFFFAOYSA-N
XLogP4.54
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile?
The IUPAC name of 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile (CID 102495954) is 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile?
The canonical SMILES for 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile is Cc1ccc(N2CN(c3ccc(F)cc3)CC2C(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile?
The InChIKey is KWIZZFJCZVYUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-17-2-10-22(11-3-17)28-16-27(21-12-8-20(25)9-13-21)15-23(28)24(29)19-6-4-18(14-26)5-7-19/h2-13,23H,15-16H2,1H3.
What are the key properties of 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile?
4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile has a molecular weight of 385.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile is sourced from PubChem (CID 102495954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).