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

C13H22N2 — CID 135162548

IUPAC(4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole
SMILESC/C=c1\c(=C/C(C)C)nc(C)n1C(C)C
InChIInChI=1S/C13H22N2/c1-7-13-12(8-9(2)3)14-11(6)15(13)10(4)5/h7-10H,1-6H3/b12-8+,13-7+
InChIKeySRABXFGKZAGCAO-SWZPTJTJSA-N
MW206.33 g/mol
LogP2.01
Rot. Bonds2

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

(4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole (PubChem CID 135162548) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole
PubChem CID135162548
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole
SMILESC/C=c1\c(=C/C(C)C)nc(C)n1C(C)C
InChIInChI=1S/C13H22N2/c1-7-13-12(8-9(2)3)14-11(6)15(13)10(4)5/h7-10H,1-6H3/b12-8+,13-7+
InChIKeySRABXFGKZAGCAO-SWZPTJTJSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole?
The IUPAC name of (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole (CID 135162548) is (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole.
What is the SMILES notation for (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole?
The canonical SMILES for (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole is C/C=c1\c(=C/C(C)C)nc(C)n1C(C)C.
What is the InChIKey of (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole?
The InChIKey is SRABXFGKZAGCAO-SWZPTJTJSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-13-12(8-9(2)3)14-11(6)15(13)10(4)5/h7-10H,1-6H3/b12-8+,13-7+.
What are the key properties of (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole?
(4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole has a molecular weight of 206.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-2-methyl-4-(2-methylpropylidene)-1-propan-2-ylimidazole is sourced from PubChem (CID 135162548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).