4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole

C12H16N2 — CID 130256315

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
SMILESC=C/C=C(\C=C/C)c1ncn(C)c1C
InChIInChI=1S/C12H16N2/c1-5-7-11(8-6-2)12-10(3)14(4)9-13-12/h5-9H,1H2,2-4H3/b8-6-,11-7+
InChIKeyBUGLYUKDLBYCMD-FAWHLJIPSA-N
MW188.27 g/mol
LogP2.87
Rot. Bonds3

About 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole (PubChem CID 130256315) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
PubChem CID130256315
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
SMILESC=C/C=C(\C=C/C)c1ncn(C)c1C
InChIInChI=1S/C12H16N2/c1-5-7-11(8-6-2)12-10(3)14(4)9-13-12/h5-9H,1H2,2-4H3/b8-6-,11-7+
InChIKeyBUGLYUKDLBYCMD-FAWHLJIPSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
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 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole (CID 130256315) is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole is C=C/C=C(\C=C/C)c1ncn(C)c1C.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole?
The InChIKey is BUGLYUKDLBYCMD-FAWHLJIPSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-7-11(8-6-2)12-10(3)14(4)9-13-12/h5-9H,1H2,2-4H3/b8-6-,11-7+.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole?
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole has a molecular weight of 188.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole is sourced from PubChem (CID 130256315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).