5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one

C21H21FN6O — CID 135922964

IUPAC5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one
SMILESO=C1N/C(=N\Cc2cccnc2)C(c2cccc(F)c2)N1CCCn1ccnc1
InChIInChI=1S/C21H21FN6O/c22-18-6-1-5-17(12-18)19-20(25-14-16-4-2-7-23-13-16)26-21(29)28(19)10-3-9-27-11-8-24-15-27/h1-2,4-8,11-13,15,19H,3,9-10,14H2,(H,25,26,29)
InChIKeyCMNCZRCKDRHZKJ-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.17
Rot. Bonds7

About 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one

5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one (PubChem CID 135922964) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one
PubChem CID135922964
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one
SMILESO=C1N/C(=N\Cc2cccnc2)C(c2cccc(F)c2)N1CCCn1ccnc1
InChIInChI=1S/C21H21FN6O/c22-18-6-1-5-17(12-18)19-20(25-14-16-4-2-7-23-13-16)26-21(29)28(19)10-3-9-27-11-8-24-15-27/h1-2,4-8,11-13,15,19H,3,9-10,14H2,(H,25,26,29)
InChIKeyCMNCZRCKDRHZKJ-UHFFFAOYSA-N
XLogP3.17
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one
CID 163858661
4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one
CID 135871078
5-(4-chloro-3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(2-thiophen-2-ylethylimino)imidazolidin-2-one
CID 135871082
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 6614954
(4E,5R)-4-[(5-fluoro-2-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 98358840
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
(4E)-5-(3-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 6023782
(4E)-5-(3-butoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 6170508
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(3-pentoxyphenyl)pyrrolidine-2,3-dione
CID 6170949
4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 25099742
5-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-[2-oxo-2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-yl)ethyl]iminoimidazolidin-2-one
CID 143667509
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one?
The IUPAC name of 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one (CID 135922964) is 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one is O=C1N/C(=N\Cc2cccnc2)C(c2cccc(F)c2)N1CCCn1ccnc1.
What is the InChIKey of 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one?
The InChIKey is CMNCZRCKDRHZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-18-6-1-5-17(12-18)19-20(25-14-16-4-2-7-23-13-16)26-21(29)28(19)10-3-9-27-11-8-24-15-27/h1-2,4-8,11-13,15,19H,3,9-10,14H2,(H,25,26,29).
What are the key properties of 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one?
5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one has a molecular weight of 392.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one is sourced from PubChem (CID 135922964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).