(5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one

C19H27N3O2 — CID 170292597

IUPAC(5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one
SMILESC=c1n(CC(C)C)c(=O)/c(=C\c2ccc(N(C)CCO)cc2)n1C
InChIInChI=1S/C19H27N3O2/c1-14(2)13-22-15(3)21(5)18(19(22)24)12-16-6-8-17(9-7-16)20(4)10-11-23/h6-9,12,14,23H,3,10-11,13H2,1-2,4-5H3/b18-12+
InChIKeyMPTHVQDTCBHKNY-LDADJPATSA-N
MW329.44 g/mol
LogP0.51
Rot. Bonds6

About (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one

(5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one (PubChem CID 170292597) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one
PubChem CID170292597
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one
SMILESC=c1n(CC(C)C)c(=O)/c(=C\c2ccc(N(C)CCO)cc2)n1C
InChIInChI=1S/C19H27N3O2/c1-14(2)13-22-15(3)21(5)18(19(22)24)12-16-6-8-17(9-7-16)20(4)10-11-23/h6-9,12,14,23H,3,10-11,13H2,1-2,4-5H3/b18-12+
InChIKeyMPTHVQDTCBHKNY-LDADJPATSA-N
XLogP0.51
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one (CID 170292597) is (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one is C=c1n(CC(C)C)c(=O)/c(=C\c2ccc(N(C)CCO)cc2)n1C.
What is the InChIKey of (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is MPTHVQDTCBHKNY-LDADJPATSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)13-22-15(3)21(5)18(19(22)24)12-16-6-8-17(9-7-16)20(4)10-11-23/h6-9,12,14,23H,3,10-11,13H2,1-2,4-5H3/b18-12+.
What are the key properties of (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one?
(5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 329.44 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-1-methyl-2-methylidene-3-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 170292597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).