1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea

C17H15FN4O3 — CID 174190500

IUPAC1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea
SMILESCc1ccc(/C=C2/C(=O)NC(=NC(=O)Nc3cccc(F)c3)N2C)o1
InChIInChI=1S/C17H15FN4O3/c1-10-6-7-13(25-10)9-14-15(23)20-16(22(14)2)21-17(24)19-12-5-3-4-11(18)8-12/h3-9H,1-2H3,(H2,19,20,21,23,24)/b14-9-
InChIKeyCEUHGDWVJISBFX-ZROIWOOFSA-N
MW342.33 g/mol
LogP2.72
Rot. Bonds2

About 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea

1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea (PubChem CID 174190500) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea
PubChem CID174190500
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea
SMILESCc1ccc(/C=C2/C(=O)NC(=NC(=O)Nc3cccc(F)c3)N2C)o1
InChIInChI=1S/C17H15FN4O3/c1-10-6-7-13(25-10)9-14-15(23)20-16(22(14)2)21-17(24)19-12-5-3-4-11(18)8-12/h3-9H,1-2H3,(H2,19,20,21,23,24)/b14-9-
InChIKeyCEUHGDWVJISBFX-ZROIWOOFSA-N
XLogP2.72
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-(3-fluorophenyl)-3-[(5E)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea
CID 170925191
1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
CID 137122963
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
N-[3-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]phenyl]acetamide
CID 87985619
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
N-(3-fluorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768599
N-(3-fluorophenyl)-2-[(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126240777
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 4048886
2-[(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-fluorophenyl)acetamide
CID 126257049
(5E)-1-(3-chloro-2-methylphenyl)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126228668

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea (CID 174190500) is 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea is Cc1ccc(/C=C2/C(=O)NC(=NC(=O)Nc3cccc(F)c3)N2C)o1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
The InChIKey is CEUHGDWVJISBFX-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-10-6-7-13(25-10)9-14-15(23)20-16(22(14)2)21-17(24)19-12-5-3-4-11(18)8-12/h3-9H,1-2H3,(H2,19,20,21,23,24)/b14-9-.
What are the key properties of 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea has a molecular weight of 342.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(5Z)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxoimidazolidin-2-ylidene]urea is sourced from PubChem (CID 174190500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).