(5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione

C16H14IN3O2 — CID 2280157

IUPAC(5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc(I)c1
InChIInChI=1S/C16H14IN3O2/c1-9-6-11(7-14-15(21)19-16(22)18-14)10(2)20(9)13-5-3-4-12(17)8-13/h3-8H,1-2H3,(H2,18,19,21,22)/b14-7-
InChIKeyIQBDEQCLKVOAGP-AUWJEWJLSA-N
MW407.21 g/mol
LogP2.88
Rot. Bonds2

About (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione

(5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 2280157) has the molecular formula C16H14IN3O2 and a molecular weight of 407.21 g/mol. Its IUPAC name is (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
PubChem CID2280157
Molecular FormulaC16H14IN3O2
Molecular Weight407.21 g/mol
Exact Mass407.01
IUPAC Name(5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc(I)c1
InChIInChI=1S/C16H14IN3O2/c1-9-6-11(7-14-15(21)19-16(22)18-14)10(2)20(9)13-5-3-4-12(17)8-13/h3-8H,1-2H3,(H2,18,19,21,22)/b14-7-
InChIKeyIQBDEQCLKVOAGP-AUWJEWJLSA-N
XLogP2.88
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_F(8)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 714802
(5E)-5-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 921631
5-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 2883536
(5Z)-5-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 6248542
(5Z)-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 817640
4-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 1319304
4-[3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 2914219
5-[[1-(3-iodo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3251261
(5E)-5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 6382376
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 793193
(5E)-3-ethyl-2-ethylimino-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 6274134
5-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126006388

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione (CID 2280157) is (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione is Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc(I)c1.
What is the InChIKey of (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is IQBDEQCLKVOAGP-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H14IN3O2/c1-9-6-11(7-14-15(21)19-16(22)18-14)10(2)20(9)13-5-3-4-12(17)8-13/h3-8H,1-2H3,(H2,18,19,21,22)/b14-7-.
What are the key properties of (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
(5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 407.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2280157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).