(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole

C9H14N2 — CID 137427544

IUPAC(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole
SMILESCC/C(C)=C\C=C1/CN=CN1
InChIInChI=1S/C9H14N2/c1-3-8(2)4-5-9-6-10-7-11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11)/b8-4-,9-5+
InChIKeyVKBUGUGWSVPCAT-MVTUOISNSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds2

About (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole

(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole (PubChem CID 137427544) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole
PubChem CID137427544
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole
SMILESCC/C(C)=C\C=C1/CN=CN1
InChIInChI=1S/C9H14N2/c1-3-8(2)4-5-9-6-10-7-11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11)/b8-4-,9-5+
InChIKeyVKBUGUGWSVPCAT-MVTUOISNSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole?
The IUPAC name of (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole (CID 137427544) is (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole.
What is the SMILES notation for (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole?
The canonical SMILES for (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole is CC/C(C)=C\C=C1/CN=CN1.
What is the InChIKey of (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole?
The InChIKey is VKBUGUGWSVPCAT-MVTUOISNSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8(2)4-5-9-6-10-7-11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11)/b8-4-,9-5+.
What are the key properties of (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole?
(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole has a molecular weight of 150.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole is sourced from PubChem (CID 137427544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).