(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione

C15H13N3O2 — CID 1281310

IUPAC(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccccc1-n1cccc1/C=C1/NC(=O)NC1=O
InChIInChI=1S/C15H13N3O2/c1-10-5-2-3-7-13(10)18-8-4-6-11(18)9-12-14(19)17-15(20)16-12/h2-9H,1H3,(H2,16,17,19,20)/b12-9+
InChIKeyWOZQPOGHZCJKMD-FMIVXFBMSA-N
MW267.29 g/mol
LogP1.97
Rot. Bonds2

About (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 1281310) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID1281310
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1ccccc1-n1cccc1/C=C1/NC(=O)NC1=O
InChIInChI=1S/C15H13N3O2/c1-10-5-2-3-7-13(10)18-8-4-6-11(18)9-12-14(19)17-15(20)16-12/h2-9H,1H3,(H2,16,17,19,20)/b12-9+
InChIKeyWOZQPOGHZCJKMD-FMIVXFBMSA-N
XLogP1.97
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126250472
(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126257847
N-(3-methylphenyl)-2-[(4E)-4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126110470
methyl 5-[[4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3502406
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126120409
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126251456
(5E)-5-[[1-(3,4-dimethylphenyl)pyrrol-2-yl]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126251810
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154995
(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50853485
ethyl 2-[5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 1209981
(5E)-1-(2-methylphenyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 21378125

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione (CID 1281310) is (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is Cc1ccccc1-n1cccc1/C=C1/NC(=O)NC1=O.
What is the InChIKey of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is WOZQPOGHZCJKMD-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-5-2-3-7-13(10)18-8-4-6-11(18)9-12-14(19)17-15(20)16-12/h2-9H,1H3,(H2,16,17,19,20)/b12-9+.
What are the key properties of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1281310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).