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

C14H17N3O4 — CID 171128296

IUPAC2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2cc(OC)c(OC)cc2OC)N1C
InChIInChI=1S/C14H17N3O4/c1-17-9(13(18)16-14(17)15)5-8-6-11(20-3)12(21-4)7-10(8)19-2/h5-7H,1-4H3,(H2,15,16,18)
InChIKeyHZXMZMDTBYMQOF-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.05
Rot. Bonds4

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

2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one (PubChem CID 171128296) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
PubChem CID171128296
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2cc(OC)c(OC)cc2OC)N1C
InChIInChI=1S/C14H17N3O4/c1-17-9(13(18)16-14(17)15)5-8-6-11(20-3)12(21-4)7-10(8)19-2/h5-7H,1-4H3,(H2,15,16,18)
InChIKeyHZXMZMDTBYMQOF-UHFFFAOYSA-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

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 140632500
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 157483487
ethyl 2-[2-[(Z)-(2-imino-3-methyl-5-oxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 154778527
(5Z)-1,3-dimethyl-2-sulfanylidene-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 126054282
2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 171128297
2-imino-1-methyl-5-propylideneimidazolidin-4-one
CID 152756211
(3E)-1-methyl-3-[(2,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 7528411
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 54295043
1-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1353274
(5Z)-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 2179405
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154804392
1-cyclopentyl-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 78415939

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
The IUPAC name of 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one (CID 171128296) is 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one.
What is the SMILES notation for 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
The canonical SMILES for 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2cc(OC)c(OC)cc2OC)N1C.
What is the InChIKey of 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
The InChIKey is HZXMZMDTBYMQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-9(13(18)16-14(17)15)5-8-6-11(20-3)12(21-4)7-10(8)19-2/h5-7H,1-4H3,(H2,15,16,18).
What are the key properties of 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one?
2-imino-1-methyl-5-[(2,4,5-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 2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one is sourced from PubChem (CID 171128296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).