(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole

C9H10N2 — CID 126759892

IUPAC(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole
SMILESC=C/C=c1/nc[nH]/c1=C/C=C
InChIInChI=1S/C9H10N2/c1-3-5-8-9(6-4-2)11-7-10-8/h3-7H,1-2H2,(H,10,11)/b8-5+,9-6+
InChIKeyDMROVEJQGKPXSJ-XVYDYJIPSA-N
MW146.19 g/mol
LogP0.34
Rot. Bonds2

About (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole

(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole (PubChem CID 126759892) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole
PubChem CID126759892
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole
SMILESC=C/C=c1/nc[nH]/c1=C/C=C
InChIInChI=1S/C9H10N2/c1-3-5-8-9(6-4-2)11-7-10-8/h3-7H,1-2H2,(H,10,11)/b8-5+,9-6+
InChIKeyDMROVEJQGKPXSJ-XVYDYJIPSA-N
XLogP0.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.34
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-bis(prop-2-enylidene)-1H-imidazole?
The IUPAC name of (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole (CID 126759892) is (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole.
What is the SMILES notation for (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole?
The canonical SMILES for (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole is C=C/C=c1/nc[nH]/c1=C/C=C.
What is the InChIKey of (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole?
The InChIKey is DMROVEJQGKPXSJ-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-5-8-9(6-4-2)11-7-10-8/h3-7H,1-2H2,(H,10,11)/b8-5+,9-6+.
What are the key properties of (4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole?
(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole has a molecular weight of 146.19 g/mol, XLogP of 0.34, 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-bis(prop-2-enylidene)-1H-imidazole is sourced from PubChem (CID 126759892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).