(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C17H14ClN3O2 — CID 126136164

IUPAC(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H14ClN3O2/c1-2-9-21-16(22)15(19-17(21)23)11-14-4-3-10-20(14)13-7-5-12(18)6-8-13/h2-8,10-11H,1,9H2,(H,19,23)/b15-11+
InChIKeyVEZBBBLRAFVVJK-RVDMUPIBSA-N
MW327.77 g/mol
LogP3.21
Rot. Bonds4

About (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126136164) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126136164
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H14ClN3O2/c1-2-9-21-16(22)15(19-17(21)23)11-14-4-3-10-20(14)13-7-5-12(18)6-8-13/h2-8,10-11H,1,9H2,(H,19,23)/b15-11+
InChIKeyVEZBBBLRAFVVJK-RVDMUPIBSA-N
XLogP3.21
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154995
3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 3937131
(5E)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2288225
(5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126249348
(5E)-3-(3-chlorophenyl)-5-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126070692
(5E)-5-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1209762
3-[2-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoate
CID 6104166
4-[2-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
CID 2287904
4-[2-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate
CID 2287905
(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126131187
(5E)-3-propyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126228553
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126073478

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126136164) is (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is VEZBBBLRAFVVJK-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-2-9-21-16(22)15(19-17(21)23)11-14-4-3-10-20(14)13-7-5-12(18)6-8-13/h2-8,10-11H,1,9H2,(H,19,23)/b15-11+.
What are the key properties of (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 327.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126136164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).