(5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione

C20H11BrN2O5 — CID 5467853

IUPAC(5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)N/C(=C\c2ccccc2Br)C1=O
InChIInChI=1S/C20H11BrN2O5/c21-14-7-3-1-5-11(14)9-15-18(25)23(20(27)22-15)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10H,(H,22,27)/b13-10-,15-9-
InChIKeyUPQQYXPYUSIKAW-OSLRAOJWSA-N
MW439.22 g/mol
LogP3.03
Rot. Bonds2

About (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione

(5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione (PubChem CID 5467853) has the molecular formula C20H11BrN2O5 and a molecular weight of 439.22 g/mol. Its IUPAC name is (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione
PubChem CID5467853
Molecular FormulaC20H11BrN2O5
Molecular Weight439.22 g/mol
Exact Mass437.99
IUPAC Name(5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)N/C(=C\c2ccccc2Br)C1=O
InChIInChI=1S/C20H11BrN2O5/c21-14-7-3-1-5-11(14)9-15-18(25)23(20(27)22-15)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10H,(H,22,27)/b13-10-,15-9-
InChIKeyUPQQYXPYUSIKAW-OSLRAOJWSA-N
XLogP3.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione (CID 5467853) is (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)N/C(=C\c2ccccc2Br)C1=O.
What is the InChIKey of (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione?
The InChIKey is UPQQYXPYUSIKAW-OSLRAOJWSA-N. The full InChI is InChI=1S/C20H11BrN2O5/c21-14-7-3-1-5-11(14)9-15-18(25)23(20(27)22-15)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10H,(H,22,27)/b13-10-,15-9-.
What are the key properties of (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione?
(5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione has a molecular weight of 439.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 5467853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).