(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole

C9H14N2 — CID 135270852

IUPAC(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(C)n/c1=C/CCC
InChIInChI=1S/C9H14N2/c1-4-5-6-9-7(2)10-8(3)11-9/h6H,2,4-5H2,1,3H3,(H,10,11)/b9-6+
InChIKeyBHCCKBRAMNUNHV-RMKNXTFCSA-N
MW150.22 g/mol
LogP0.71
Rot. Bonds2

About (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole

(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole (PubChem CID 135270852) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole
PubChem CID135270852
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(C)n/c1=C/CCC
InChIInChI=1S/C9H14N2/c1-4-5-6-9-7(2)10-8(3)11-9/h6H,2,4-5H2,1,3H3,(H,10,11)/b9-6+
InChIKeyBHCCKBRAMNUNHV-RMKNXTFCSA-N
XLogP0.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole?
The IUPAC name of (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole (CID 135270852) is (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole.
What is the SMILES notation for (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole?
The canonical SMILES for (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole is C=c1[nH]c(C)n/c1=C/CCC.
What is the InChIKey of (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole?
The InChIKey is BHCCKBRAMNUNHV-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-6-9-7(2)10-8(3)11-9/h6H,2,4-5H2,1,3H3,(H,10,11)/b9-6+.
What are the key properties of (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole?
(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole is sourced from PubChem (CID 135270852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).