2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole

C10H14N2 — CID 143769866

IUPAC2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole
SMILESC=C/C(C)=C(\C=C)C1=NCCN1
InChIInChI=1S/C10H14N2/c1-4-8(3)9(5-2)10-11-6-7-12-10/h4-5H,1-2,6-7H2,3H3,(H,11,12)/b9-8+
InChIKeyRSLMFJUCYQGWQW-CMDGGOBGSA-N
MW162.24 g/mol
LogP1.68
Rot. Bonds3

About 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole

2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 143769866) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID143769866
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole
SMILESC=C/C(C)=C(\C=C)C1=NCCN1
InChIInChI=1S/C10H14N2/c1-4-8(3)9(5-2)10-11-6-7-12-10/h4-5H,1-2,6-7H2,3H3,(H,11,12)/b9-8+
InChIKeyRSLMFJUCYQGWQW-CMDGGOBGSA-N
XLogP1.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 123201696
N-ethenyl-3-propan-2-ylidenepyrrol-2-amine
CID 129157578
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene
CID 142843948
2-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 143002404
ethane;2-[(3E,6Z)-octa-1,3,6-trien-4-yl]-4,5-dihydro-1H-imidazole
CID 143232696
(1Z,3E)-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylpenta-1,3-dien-1-amine
CID 143241275

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole (CID 143769866) is 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole is C=C/C(C)=C(\C=C)C1=NCCN1.
What is the InChIKey of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is RSLMFJUCYQGWQW-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-8(3)9(5-2)10-11-6-7-12-10/h4-5H,1-2,6-7H2,3H3,(H,11,12)/b9-8+.
What are the key properties of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole?
2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 143769866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).