4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one

C19H23F2N5O — CID 135871078

IUPAC4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one
SMILESCCCC/N=C1\NC(=O)N(CCCn2ccnc2)C1c1cccc(F)c1F
InChIInChI=1S/C19H23F2N5O/c1-2-3-8-23-18-17(14-6-4-7-15(20)16(14)21)26(19(27)24-18)11-5-10-25-12-9-22-13-25/h4,6-7,9,12-13,17H,2-3,5,8,10-11H2,1H3,(H,23,24,27)
InChIKeyORSRNRRLNIEQMK-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.52
Rot. Bonds8

About 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one

4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one (PubChem CID 135871078) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one
PubChem CID135871078
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one
SMILESCCCC/N=C1\NC(=O)N(CCCn2ccnc2)C1c1cccc(F)c1F
InChIInChI=1S/C19H23F2N5O/c1-2-3-8-23-18-17(14-6-4-7-15(20)16(14)21)26(19(27)24-18)11-5-10-25-12-9-22-13-25/h4,6-7,9,12-13,17H,2-3,5,8,10-11H2,1H3,(H,23,24,27)
InChIKeyORSRNRRLNIEQMK-UHFFFAOYSA-N
XLogP3.52
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(2-thiophen-2-ylethylimino)imidazolidin-2-one
CID 135871082
5-(3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one
CID 135922964
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 780369
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
5-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-(3-imidazol-1-ylpropyl)-4-(pyridin-3-ylmethylimino)imidazolidin-2-one
CID 163858661
(5S)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 6996629
5-(2,3-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 2918571
sodium;1-butylimidazole;bromide
CID 175480877
5-(6-chlorocyclohexa-2,4-dien-1-yl)-1-(3-imidazol-1-ylpropyl)-4-(2-thiophen-2-ylethylimino)imidazolidin-2-one
CID 136600135
(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
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653

Frequently Asked Questions

What is the IUPAC name of 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one?
The IUPAC name of 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one (CID 135871078) is 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one.
What is the SMILES notation for 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one?
The canonical SMILES for 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one is CCCC/N=C1\NC(=O)N(CCCn2ccnc2)C1c1cccc(F)c1F.
What is the InChIKey of 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one?
The InChIKey is ORSRNRRLNIEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-2-3-8-23-18-17(14-6-4-7-15(20)16(14)21)26(19(27)24-18)11-5-10-25-12-9-22-13-25/h4,6-7,9,12-13,17H,2-3,5,8,10-11H2,1H3,(H,23,24,27).
What are the key properties of 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one?
4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one has a molecular weight of 375.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one is sourced from PubChem (CID 135871078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).