(4E,5E)-4-butylidene-5-propylidene-1H-imidazole

C10H16N2 — CID 155108030

IUPAC(4E,5E)-4-butylidene-5-propylidene-1H-imidazole
SMILESCC/C=c1/[nH]cn/c1=C/CCC
InChIInChI=1S/C10H16N2/c1-3-5-7-10-9(6-4-2)11-8-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/b9-6+,10-7+
InChIKeyQXDOURRJDBWEBG-KZZDLZNXSA-N
MW164.25 g/mol
LogP1.18
Rot. Bonds3

About (4E,5E)-4-butylidene-5-propylidene-1H-imidazole

(4E,5E)-4-butylidene-5-propylidene-1H-imidazole (PubChem CID 155108030) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E,5E)-4-butylidene-5-propylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-butylidene-5-propylidene-1H-imidazole
PubChem CID155108030
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4E,5E)-4-butylidene-5-propylidene-1H-imidazole
SMILESCC/C=c1/[nH]cn/c1=C/CCC
InChIInChI=1S/C10H16N2/c1-3-5-7-10-9(6-4-2)11-8-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/b9-6+,10-7+
InChIKeyQXDOURRJDBWEBG-KZZDLZNXSA-N
XLogP1.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-butylidene-5-propylidene-1H-imidazole?
The IUPAC name of (4E,5E)-4-butylidene-5-propylidene-1H-imidazole (CID 155108030) is (4E,5E)-4-butylidene-5-propylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-butylidene-5-propylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-4-butylidene-5-propylidene-1H-imidazole is CC/C=c1/[nH]cn/c1=C/CCC.
What is the InChIKey of (4E,5E)-4-butylidene-5-propylidene-1H-imidazole?
The InChIKey is QXDOURRJDBWEBG-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-7-10-9(6-4-2)11-8-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/b9-6+,10-7+.
What are the key properties of (4E,5E)-4-butylidene-5-propylidene-1H-imidazole?
(4E,5E)-4-butylidene-5-propylidene-1H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-butylidene-5-propylidene-1H-imidazole is sourced from PubChem (CID 155108030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).