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

C12H16N2 — CID 130207287

IUPAC(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole
SMILESC=C/C=c1/nc(C(C)C)[nH]/c1=C/C=C
InChIInChI=1S/C12H16N2/c1-5-7-10-11(8-6-2)14-12(13-10)9(3)4/h5-9H,1-2H2,3-4H3,(H,13,14)/b10-7+,11-8+
InChIKeyWGPIGJDUYLDSSF-AMMQDNIMSA-N
MW188.27 g/mol
LogP1.47
Rot. Bonds3

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

(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole (PubChem CID 130207287) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole
PubChem CID130207287
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole
SMILESC=C/C=c1/nc(C(C)C)[nH]/c1=C/C=C
InChIInChI=1S/C12H16N2/c1-5-7-10-11(8-6-2)14-12(13-10)9(3)4/h5-9H,1-2H2,3-4H3,(H,13,14)/b10-7+,11-8+
InChIKeyWGPIGJDUYLDSSF-AMMQDNIMSA-N
XLogP1.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole?
The IUPAC name of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole (CID 130207287) is (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole.
What is the SMILES notation for (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole?
The canonical SMILES for (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole is C=C/C=c1/nc(C(C)C)[nH]/c1=C/C=C.
What is the InChIKey of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole?
The InChIKey is WGPIGJDUYLDSSF-AMMQDNIMSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-7-10-11(8-6-2)14-12(13-10)9(3)4/h5-9H,1-2H2,3-4H3,(H,13,14)/b10-7+,11-8+.
What are the key properties of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole?
(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole is sourced from PubChem (CID 130207287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).