(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione

C13H15N3O2 — CID 70552065

IUPAC(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione
SMILESCN(C)/C=C1/C(=O)N(c2ccccc2)C(=O)N1C
InChIInChI=1S/C13H15N3O2/c1-14(2)9-11-12(17)16(13(18)15(11)3)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9-
InChIKeyMAABURVOSZXEBT-LUAWRHEFSA-N
MW245.28 g/mol
LogP1.49
Rot. Bonds2

About (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione

(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione (PubChem CID 70552065) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione
PubChem CID70552065
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione
SMILESCN(C)/C=C1/C(=O)N(c2ccccc2)C(=O)N1C
InChIInChI=1S/C13H15N3O2/c1-14(2)9-11-12(17)16(13(18)15(11)3)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9-
InChIKeyMAABURVOSZXEBT-LUAWRHEFSA-N
XLogP1.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione (CID 70552065) is (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione is CN(C)/C=C1/C(=O)N(c2ccccc2)C(=O)N1C.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione?
The InChIKey is MAABURVOSZXEBT-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14(2)9-11-12(17)16(13(18)15(11)3)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione?
(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 70552065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).