(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one

C14H17N3O — CID 90759632

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2ccc(N(C)C)cc2)c(=O)n1C
InChIInChI=1S/C14H17N3O/c1-10-15-13(14(18)17(10)4)9-11-5-7-12(8-6-11)16(2)3/h5-9,15H,1H2,2-4H3/b13-9-
InChIKeyWKNQWERRDMVEEH-LCYFTJDESA-N
MW243.31 g/mol
LogP0.02
Rot. Bonds2

About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one (PubChem CID 90759632) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
PubChem CID90759632
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2ccc(N(C)C)cc2)c(=O)n1C
InChIInChI=1S/C14H17N3O/c1-10-15-13(14(18)17(10)4)9-11-5-7-12(8-6-11)16(2)3/h5-9,15H,1H2,2-4H3/b13-9-
InChIKeyWKNQWERRDMVEEH-LCYFTJDESA-N
XLogP0.02
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 91514814
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 91203931
4-[(Z)-(1-methyl-2-methylidene-5-oxoimidazolidin-4-ylidene)methyl]benzonitrile
CID 91470172
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-6-methylidenepiperazine-2,5-dione
CID 166633207
(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 143386373
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione
CID 56694885
(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 123523108
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90965007
2-benzyl-4-[[4-(dimethylamino)phenyl]methylidene]-5-methylidenepyrazolidin-3-one
CID 4047190
3-[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]propanenitrile
CID 2133547
3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]propanenitrile
CID 2133548
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one (CID 90759632) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one is C=c1[nH]/c(=C\c2ccc(N(C)C)cc2)c(=O)n1C.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The InChIKey is WKNQWERRDMVEEH-LCYFTJDESA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-15-13(14(18)17(10)4)9-11-5-7-12(8-6-11)16(2)3/h5-9,15H,1H2,2-4H3/b13-9-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 90759632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).