(4E,5E)-4,5-di(ethylidene)-1H-imidazole

C7H10N2 — CID 90084299

IUPAC(4E,5E)-4,5-di(ethylidene)-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/C
InChIInChI=1S/C7H10N2/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3,(H,8,9)/b6-3+,7-4+
InChIKeyVDJPMPIDPIUXKU-XOKGJFMYSA-N
MW122.17 g/mol
LogP0.01
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1H-imidazole

(4E,5E)-4,5-di(ethylidene)-1H-imidazole (PubChem CID 90084299) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1H-imidazole
PubChem CID90084299
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/C
InChIInChI=1S/C7H10N2/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3,(H,8,9)/b6-3+,7-4+
InChIKeyVDJPMPIDPIUXKU-XOKGJFMYSA-N
XLogP0.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-imidazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-imidazole (CID 90084299) is (4E,5E)-4,5-di(ethylidene)-1H-imidazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1H-imidazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1H-imidazole is C/C=c1/nc[nH]/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1H-imidazole?
The InChIKey is VDJPMPIDPIUXKU-XOKGJFMYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3,(H,8,9)/b6-3+,7-4+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1H-imidazole?
(4E,5E)-4,5-di(ethylidene)-1H-imidazole has a molecular weight of 122.17 g/mol, XLogP of 0.01, 0 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)-1H-imidazole is sourced from PubChem (CID 90084299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).