(5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole

C11H18N2 — CID 155017668

IUPAC(5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole
SMILESC=c1nc(C)n(C(C)C)/c1=C/CC
InChIInChI=1S/C11H18N2/c1-6-7-11-9(4)12-10(5)13(11)8(2)3/h7-8H,4,6H2,1-3,5H3/b11-7+
InChIKeyNAMMJEAWVTYLBV-YRNVUSSQSA-N
MW178.28 g/mol
LogP1.37
Rot. Bonds2

About (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole

(5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole (PubChem CID 155017668) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole.

Molecular Properties

Compound Name(5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole
PubChem CID155017668
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole
SMILESC=c1nc(C)n(C(C)C)/c1=C/CC
InChIInChI=1S/C11H18N2/c1-6-7-11-9(4)12-10(5)13(11)8(2)3/h7-8H,4,6H2,1-3,5H3/b11-7+
InChIKeyNAMMJEAWVTYLBV-YRNVUSSQSA-N
XLogP1.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole?
The IUPAC name of (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole (CID 155017668) is (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole.
What is the SMILES notation for (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole?
The canonical SMILES for (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole is C=c1nc(C)n(C(C)C)/c1=C/CC.
What is the InChIKey of (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole?
The InChIKey is NAMMJEAWVTYLBV-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-7-11-9(4)12-10(5)13(11)8(2)3/h7-8H,4,6H2,1-3,5H3/b11-7+.
What are the key properties of (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole?
(5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole has a molecular weight of 178.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-4-methylidene-1-propan-2-yl-5-propylideneimidazole is sourced from PubChem (CID 155017668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).