(5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one

C14H17N3O4 — CID 146674643

IUPAC(5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)N1C
InChIInChI=1S/C14H17N3O4/c1-17-9(13(18)16-14(17)15)5-8-6-10(19-2)12(21-4)11(7-8)20-3/h5-7H,1-4H3,(H2,15,16,18)/b9-5-
InChIKeyJDUJSLKXSZBSMX-UITAMQMPSA-N
MW291.31 g/mol
LogP1.05
Rot. Bonds4

About (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one

(5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one (PubChem CID 146674643) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
PubChem CID146674643
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)N1C
InChIInChI=1S/C14H17N3O4/c1-17-9(13(18)16-14(17)15)5-8-6-10(19-2)12(21-4)11(7-8)20-3/h5-7H,1-4H3,(H2,15,16,18)/b9-5-
InChIKeyJDUJSLKXSZBSMX-UITAMQMPSA-N
XLogP1.05
TPSA83.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-(3,4,5-trimethoxybenzylidene)imidazolidine-2,4-dione
CID 760516
2-Imino-1-methyl-5-(2,4,5-trimethoxybenzylidene)-4-imidazolidinone
CID 9551956
(5Z)-5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione
CID 2189796
(5Z)-2-imino-1-methyl-5-(3,4,5-trimethoxybenzylidene)imidazolidin-4-one
CID 5725391
(Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2148485
(6Z)-3-methylidene-6-[(3,4,5-trimethoxyphenyl)methylidene]piperazine-2,5-dione
CID 166636144
5-[(3,4-Dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 165798
2-Thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-1,3-diazolidin-4-one
CID 743742
(5Z)-5-(3,4-dimethoxybenzylidene)-2-imino-1-methylimidazolidin-4-one
CID 5342252
(5Z)-3-methyl-2-propylimino-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 136033539
(4Z)-2-amino-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one;hydrochloride
CID 177653955
(5E)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one;hydrochloride
CID 177653984

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
The IUPAC name of (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one (CID 146674643) is (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)N1C.
What is the InChIKey of (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
The InChIKey is JDUJSLKXSZBSMX-UITAMQMPSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-9(13(18)16-14(17)15)5-8-6-10(19-2)12(21-4)11(7-8)20-3/h5-7H,1-4H3,(H2,15,16,18)/b9-5-.
What are the key properties of (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
(5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one has a molecular weight of 291.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-1-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one is sourced from PubChem (CID 146674643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).