(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one

C17H17N3O2 — CID 135418631

IUPAC(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\N/C(=C\c2ccco2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-10-18-17-19-15(12-14-9-6-11-22-14)16(21)20(17)13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3,(H,18,19)/b15-12-
InChIKeySCLARAVUGWCGEZ-QINSGFPZSA-N
MW295.34 g/mol
LogP3.02
Rot. Bonds4

About (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one

(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one (PubChem CID 135418631) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
PubChem CID135418631
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\N/C(=C\c2ccco2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-10-18-17-19-15(12-14-9-6-11-22-14)16(21)20(17)13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3,(H,18,19)/b15-12-
InChIKeySCLARAVUGWCGEZ-QINSGFPZSA-N
XLogP3.02
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135526655
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
CID 135432495
5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
CID 135454509
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one
CID 135418617
5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 173085736
(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
CID 136911485
5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 936275
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177655
5-(furan-2-ylmethylidene)-1,2,2,3-tetramethyl-1,3-diazinane-4,6-dione
CID 137477472
(5Z)-5-(furan-2-ylmethylidene)-1-(2-methoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 126021521
(5Z)-3-(furan-2-ylmethyl)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 26493283
(5Z)-5-(furan-2-ylmethylidene)-2,3-dimethyl-1-phenyl-1,2,4-triazin-6-one
CID 171977658

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one (CID 135418631) is (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one is CCC/N=C1\N/C(=C\c2ccco2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one?
The InChIKey is SCLARAVUGWCGEZ-QINSGFPZSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-10-18-17-19-15(12-14-9-6-11-22-14)16(21)20(17)13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3,(H,18,19)/b15-12-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one?
(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one is sourced from PubChem (CID 135418631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).