4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole

C11H16N2 — CID 123513203

IUPAC4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole
SMILESCC=CC/C=C(\C)C1=NC(C)N=C1
InChIInChI=1S/C11H16N2/c1-4-5-6-7-9(2)11-8-12-10(3)13-11/h4-5,7-8,10H,6H2,1-3H3/b5-4?,9-7+
InChIKeyYFWCEZLYLZCDHT-VZUAUHPGSA-N
MW176.26 g/mol
LogP2.77
Rot. Bonds3

About 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole

4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole (PubChem CID 123513203) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole.

Molecular Properties

Compound Name4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole
PubChem CID123513203
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole
SMILESCC=CC/C=C(\C)C1=NC(C)N=C1
InChIInChI=1S/C11H16N2/c1-4-5-6-7-9(2)11-8-12-10(3)13-11/h4-5,7-8,10H,6H2,1-3H3/b5-4?,9-7+
InChIKeyYFWCEZLYLZCDHT-VZUAUHPGSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
CID 89370186
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395
N-ethyl-3-methylhepta-3,6-dien-2-imine
CID 90905569
3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
CID 90957874
(Z)-4-N-hexyl-1-N,2-dimethylpent-2-ene-1,4-diimine
CID 91067055
2,4-Dimethylpyrrol-1-ium
CID 91807173
(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine
CID 123272046
1-N,2-N-dimethylpent-3-ene-1,2-diimine
CID 123282638
2,8-Diethyl-1-azoniacyclonona-1,3,5,7,9-pentaene
CID 123284079
2,2,4-Trimethyl-1,3-diazepine
CID 123300458
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine
CID 123391206

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole?
The IUPAC name of 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole (CID 123513203) is 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole.
What is the SMILES notation for 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole?
The canonical SMILES for 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole is CC=CC/C=C(\C)C1=NC(C)N=C1.
What is the InChIKey of 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole?
The InChIKey is YFWCEZLYLZCDHT-VZUAUHPGSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-5-6-7-9(2)11-8-12-10(3)13-11/h4-5,7-8,10H,6H2,1-3H3/b5-4?,9-7+.
What are the key properties of 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole?
4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole has a molecular weight of 176.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole is sourced from PubChem (CID 123513203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).