5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole

C15H22N2 — CID 134185806

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole
SMILESC=C/C=C\c1[nH]c(C(CC)CCC)nc1C=C
InChIInChI=1S/C15H22N2/c1-5-9-11-14-13(8-4)16-15(17-14)12(7-3)10-6-2/h5,8-9,11-12H,1,4,6-7,10H2,2-3H3,(H,16,17)/b11-9-
InChIKeyUKVZUYOYVFVWKC-LUAWRHEFSA-N
MW230.35 g/mol
LogP4.55
Rot. Bonds7

About 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole

5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole (PubChem CID 134185806) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole
PubChem CID134185806
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole
SMILESC=C/C=C\c1[nH]c(C(CC)CCC)nc1C=C
InChIInChI=1S/C15H22N2/c1-5-9-11-14-13(8-4)16-15(17-14)12(7-3)10-6-2/h5,8-9,11-12H,1,4,6-7,10H2,2-3H3,(H,16,17)/b11-9-
InChIKeyUKVZUYOYVFVWKC-LUAWRHEFSA-N
XLogP4.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole (CID 134185806) is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole is C=C/C=C\c1[nH]c(C(CC)CCC)nc1C=C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole?
The InChIKey is UKVZUYOYVFVWKC-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-9-11-14-13(8-4)16-15(17-14)12(7-3)10-6-2/h5,8-9,11-12H,1,4,6-7,10H2,2-3H3,(H,16,17)/b11-9-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole?
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole has a molecular weight of 230.35 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-hexan-3-yl-1H-imidazole is sourced from PubChem (CID 134185806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).