(5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole

C14H20N2 — CID 89199714

IUPAC(5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole
SMILESC=C(C)/C=C(C)\C=C1/CN=C(CC2CC2)N1
InChIInChI=1S/C14H20N2/c1-10(2)6-11(3)7-13-9-15-14(16-13)8-12-4-5-12/h6-7,12H,1,4-5,8-9H2,2-3H3,(H,15,16)/b11-6-,13-7+
InChIKeyPYGSTFSDKUSEKW-LPBBVNJDSA-N
MW216.33 g/mol
LogP3.19
Rot. Bonds4

About (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole

(5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole (PubChem CID 89199714) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole.

Molecular Properties

Compound Name(5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole
PubChem CID89199714
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole
SMILESC=C(C)/C=C(C)\C=C1/CN=C(CC2CC2)N1
InChIInChI=1S/C14H20N2/c1-10(2)6-11(3)7-13-9-15-14(16-13)8-12-4-5-12/h6-7,12H,1,4-5,8-9H2,2-3H3,(H,15,16)/b11-6-,13-7+
InChIKeyPYGSTFSDKUSEKW-LPBBVNJDSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.19
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-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The IUPAC name of (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole (CID 89199714) is (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole.
What is the SMILES notation for (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The canonical SMILES for (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole is C=C(C)/C=C(C)\C=C1/CN=C(CC2CC2)N1.
What is the InChIKey of (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
The InChIKey is PYGSTFSDKUSEKW-LPBBVNJDSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)6-11(3)7-13-9-15-14(16-13)8-12-4-5-12/h6-7,12H,1,4-5,8-9H2,2-3H3,(H,15,16)/b11-6-,13-7+.
What are the key properties of (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole?
(5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole is sourced from PubChem (CID 89199714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).