(5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole

C11H20N2 — CID 166928816

IUPAC(5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole
SMILESCC/C=C1\C(C)N=C(C)N1C(C)C
InChIInChI=1S/C11H20N2/c1-6-7-11-9(4)12-10(5)13(11)8(2)3/h7-9H,6H2,1-5H3/b11-7+
InChIKeyCXAKLUORLFVLLX-YRNVUSSQSA-N
MW180.29 g/mol
LogP2.81
Rot. Bonds2

About (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole

(5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole (PubChem CID 166928816) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole.

Molecular Properties

Compound Name(5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole
PubChem CID166928816
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole
SMILESCC/C=C1\C(C)N=C(C)N1C(C)C
InChIInChI=1S/C11H20N2/c1-6-7-11-9(4)12-10(5)13(11)8(2)3/h7-9H,6H2,1-5H3/b11-7+
InChIKeyCXAKLUORLFVLLX-YRNVUSSQSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole?
The IUPAC name of (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole (CID 166928816) is (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole.
What is the SMILES notation for (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole?
The canonical SMILES for (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole is CC/C=C1\C(C)N=C(C)N1C(C)C.
What is the InChIKey of (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole?
The InChIKey is CXAKLUORLFVLLX-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7-11-9(4)12-10(5)13(11)8(2)3/h7-9H,6H2,1-5H3/b11-7+.
What are the key properties of (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole?
(5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,4-dimethyl-1-propan-2-yl-5-propylidene-4H-imidazole is sourced from PubChem (CID 166928816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).