(5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione

C19H14ClIN2O3 — CID 126115502

IUPAC(5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I
InChIInChI=1S/C19H14ClIN2O3/c1-2-8-26-17-7-6-12(9-15(17)21)10-16-18(24)23(19(25)22-16)14-5-3-4-13(20)11-14/h2-7,9-11H,1,8H2,(H,22,25)/b16-10+
InChIKeyZDVZYVMCRORIHA-MHWRWJLKSA-N
MW480.69 g/mol
LogP4.61
Rot. Bonds5

About (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126115502) has the molecular formula C19H14ClIN2O3 and a molecular weight of 480.69 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126115502
Molecular FormulaC19H14ClIN2O3
Molecular Weight480.69 g/mol
Exact Mass479.97
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I
InChIInChI=1S/C19H14ClIN2O3/c1-2-8-26-17-7-6-12(9-15(17)21)10-16-18(24)23(19(25)22-16)14-5-3-4-13(20)11-14/h2-7,9-11H,1,8H2,(H,22,25)/b16-10+
InChIKeyZDVZYVMCRORIHA-MHWRWJLKSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.69
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-(3-chlorophenyl)-5-[[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126082357
(5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6520407
(5E)-3-(4-chlorophenyl)-5-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126252026
methyl 2-[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-iodophenoxy]acetate
CID 126180284
(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione
CID 126108509
3-(3-chlorophenyl)-5-[(3,4-diethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
CID 5253922
(5Z)-1-(4-fluorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2274930
(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 751927
(5Z)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 2190076
4-[[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-iodophenoxy]methyl]benzoic acid
CID 126236856
(5E)-3-(3-chlorophenyl)-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126113475
2-[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 21214144

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 126115502) is (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione is C=CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is ZDVZYVMCRORIHA-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H14ClIN2O3/c1-2-8-26-17-7-6-12(9-15(17)21)10-16-18(24)23(19(25)22-16)14-5-3-4-13(20)11-14/h2-7,9-11H,1,8H2,(H,22,25)/b16-10+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 480.69 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126115502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).