2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen

C11H20N2 — CID 142160651

IUPAC2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
SMILESCC/C=C\C=C(/C)CC1=NCCN1.[H][H]
InChIInChI=1S/C11H18N2.H2/c1-3-4-5-6-10(2)9-11-12-7-8-13-11;/h4-6H,3,7-9H2,1-2H3,(H,12,13);1H/b5-4-,10-6+;
InChIKeyHHPICSUDGJLXGX-CTCRGEBPSA-N
MW180.30 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen

2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen (PubChem CID 142160651) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen.

Molecular Properties

Compound Name2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
PubChem CID142160651
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
SMILESCC/C=C\C=C(/C)CC1=NCCN1.[H][H]
InChIInChI=1S/C11H18N2.H2/c1-3-4-5-6-10(2)9-11-12-7-8-13-11;/h4-6H,3,7-9H2,1-2H3,(H,12,13);1H/b5-4-,10-6+;
InChIKeyHHPICSUDGJLXGX-CTCRGEBPSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.54
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
The IUPAC name of 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen (CID 142160651) is 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen.
What is the SMILES notation for 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
The canonical SMILES for 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen is CC/C=C\C=C(/C)CC1=NCCN1.[H][H].
What is the InChIKey of 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
The InChIKey is HHPICSUDGJLXGX-CTCRGEBPSA-N. The full InChI is InChI=1S/C11H18N2.H2/c1-3-4-5-6-10(2)9-11-12-7-8-13-11;/h4-6H,3,7-9H2,1-2H3,(H,12,13);1H/b5-4-,10-6+;.
What are the key properties of 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen?
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen has a molecular weight of 180.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen is sourced from PubChem (CID 142160651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).