(5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole

C10H14N2 — CID 137466778

IUPAC(5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole
SMILESC=C/C(C)=C\C=C1/CN=C(C)N1
InChIInChI=1S/C10H14N2/c1-4-8(2)5-6-10-7-11-9(3)12-10/h4-6H,1,7H2,2-3H3,(H,11,12)/b8-5-,10-6+
InChIKeyXWLKVNFFSUKIOO-YBMVAOSUSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole

(5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole (PubChem CID 137466778) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole.

Molecular Properties

Compound Name(5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole
PubChem CID137466778
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole
SMILESC=C/C(C)=C\C=C1/CN=C(C)N1
InChIInChI=1S/C10H14N2/c1-4-8(2)5-6-10-7-11-9(3)12-10/h4-6H,1,7H2,2-3H3,(H,11,12)/b8-5-,10-6+
InChIKeyXWLKVNFFSUKIOO-YBMVAOSUSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The IUPAC name of (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole (CID 137466778) is (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole.
What is the SMILES notation for (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The canonical SMILES for (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole is C=C/C(C)=C\C=C1/CN=C(C)N1.
What is the InChIKey of (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The InChIKey is XWLKVNFFSUKIOO-YBMVAOSUSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-8(2)5-6-10-7-11-9(3)12-10/h4-6H,1,7H2,2-3H3,(H,11,12)/b8-5-,10-6+.
What are the key properties of (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
(5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole is sourced from PubChem (CID 137466778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).