(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole

C10H16N2 — CID 156568795

IUPAC(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole
SMILESC/C=c1/ncn(C(C)C)/c1=C/C
InChIInChI=1S/C10H16N2/c1-5-9-10(6-2)12(7-11-9)8(3)4/h5-8H,1-4H3/b9-5+,10-6+
InChIKeyARSZKDJXUMEMIZ-NXZHAISVSA-N
MW164.25 g/mol
LogP1.06
Rot. Bonds1

About (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole

(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole (PubChem CID 156568795) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole
PubChem CID156568795
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole
SMILESC/C=c1/ncn(C(C)C)/c1=C/C
InChIInChI=1S/C10H16N2/c1-5-9-10(6-2)12(7-11-9)8(3)4/h5-8H,1-4H3/b9-5+,10-6+
InChIKeyARSZKDJXUMEMIZ-NXZHAISVSA-N
XLogP1.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90894415
CID 123218601
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CID 123437116
CID 123437116
CID 123546523
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CID 123678686
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CID 123739949
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CID 130427202
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CID 130427315
CID 130427315

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole (CID 156568795) is (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole is C/C=c1/ncn(C(C)C)/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole?
The InChIKey is ARSZKDJXUMEMIZ-NXZHAISVSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9-10(6-2)12(7-11-9)8(3)4/h5-8H,1-4H3/b9-5+,10-6+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole?
(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylimidazole is sourced from PubChem (CID 156568795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).