(4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole

C13H18N2 — CID 166995280

IUPAC(4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole
SMILESC/C=C\C=C(/C)c1nc(=C/C)/c(=C\C)[nH]1
InChIInChI=1S/C13H18N2/c1-5-8-9-10(4)13-14-11(6-2)12(7-3)15-13/h5-9H,1-4H3,(H,14,15)/b8-5-,10-9+,11-6+,12-7+
InChIKeyCLRBCHQGDFDLRF-WSKPKWQYSA-N
MW202.30 g/mol
LogP1.99
Rot. Bonds2

About (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole

(4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole (PubChem CID 166995280) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole
PubChem CID166995280
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole
SMILESC/C=C\C=C(/C)c1nc(=C/C)/c(=C\C)[nH]1
InChIInChI=1S/C13H18N2/c1-5-8-9-10(4)13-14-11(6-2)12(7-3)15-13/h5-9H,1-4H3,(H,14,15)/b8-5-,10-9+,11-6+,12-7+
InChIKeyCLRBCHQGDFDLRF-WSKPKWQYSA-N
XLogP1.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.99
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 (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole (CID 166995280) is (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole is C/C=C\C=C(/C)c1nc(=C/C)/c(=C\C)[nH]1.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole?
The InChIKey is CLRBCHQGDFDLRF-WSKPKWQYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-8-9-10(4)13-14-11(6-2)12(7-3)15-13/h5-9H,1-4H3,(H,14,15)/b8-5-,10-9+,11-6+,12-7+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole?
(4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-2-yl]-1H-imidazole is sourced from PubChem (CID 166995280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).