(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole

C11H16N2 — CID 129189813

IUPAC(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/nc(C(C)CC)[nH]c1=C
InChIInChI=1S/C11H16N2/c1-5-7-10-9(4)12-11(13-10)8(3)6-2/h5,7-8H,1,4,6H2,2-3H3,(H,12,13)/b10-7+
InChIKeyPZTZSXPMRKINTL-JXMROGBWSA-N
MW176.26 g/mol
LogP1.30
Rot. Bonds3

About (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole

(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole (PubChem CID 129189813) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole
PubChem CID129189813
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/nc(C(C)CC)[nH]c1=C
InChIInChI=1S/C11H16N2/c1-5-7-10-9(4)12-11(13-10)8(3)6-2/h5,7-8H,1,4,6H2,2-3H3,(H,12,13)/b10-7+
InChIKeyPZTZSXPMRKINTL-JXMROGBWSA-N
XLogP1.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
The IUPAC name of (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole (CID 129189813) is (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole.
What is the SMILES notation for (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
The canonical SMILES for (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole is C=C/C=c1/nc(C(C)CC)[nH]c1=C.
What is the InChIKey of (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
The InChIKey is PZTZSXPMRKINTL-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-10-9(4)12-11(13-10)8(3)6-2/h5,7-8H,1,4,6H2,2-3H3,(H,12,13)/b10-7+.
What are the key properties of (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole?
(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole has a molecular weight of 176.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole is sourced from PubChem (CID 129189813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).