ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole

C15H24N2 — CID 143818314

IUPACethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole
SMILESC=C/C=C(C=C)\C(=C/C)N1C=CN(C)C1.CC
InChIInChI=1S/C13H18N2.C2H6/c1-5-8-12(6-2)13(7-3)15-10-9-14(4)11-15;1-2/h5-10H,1-2,11H2,3-4H3;1-2H3/b12-8-,13-7+;
InChIKeyIWXIMINNJIZGOQ-OFHMLHQCSA-N
MW232.37 g/mol
LogP3.89
Rot. Bonds4

About ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole

ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole (PubChem CID 143818314) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole
PubChem CID143818314
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Nameethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole
SMILESC=C/C=C(C=C)\C(=C/C)N1C=CN(C)C1.CC
InChIInChI=1S/C13H18N2.C2H6/c1-5-8-12(6-2)13(7-3)15-10-9-14(4)11-15;1-2/h5-10H,1-2,11H2,3-4H3;1-2H3/b12-8-,13-7+;
InChIKeyIWXIMINNJIZGOQ-OFHMLHQCSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
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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1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-N',N'-di(propan-2-yl)methanediamine
CID 134923776
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CID 138455233
1-ethenyl-4,5-diethyl-3-methyl-2H-imidazole
CID 22115017
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazole;carbanide;iridium
CID 57622319
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazole;carbanide;rhodium(2+)
CID 57622534
1-[(Z)-hex-3-en-3-yl]-3-methyl-2H-imidazole
CID 69137475
carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine
CID 71122962
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CID 91567465

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole?
The IUPAC name of ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole (CID 143818314) is ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole.
What is the SMILES notation for ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole?
The canonical SMILES for ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole is C=C/C=C(C=C)\C(=C/C)N1C=CN(C)C1.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole?
The InChIKey is IWXIMINNJIZGOQ-OFHMLHQCSA-N. The full InChI is InChI=1S/C13H18N2.C2H6/c1-5-8-12(6-2)13(7-3)15-10-9-14(4)11-15;1-2/h5-10H,1-2,11H2,3-4H3;1-2H3/b12-8-,13-7+;.
What are the key properties of ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole?
ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole has a molecular weight of 232.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-3-methyl-2H-imidazole is sourced from PubChem (CID 143818314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).