2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole

C12H22N2 — CID 142973901

IUPAC2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole
SMILESCCC(C)C/C=C(\C)N1CCN=C1C
InChIInChI=1S/C12H22N2/c1-5-10(2)6-7-11(3)14-9-8-13-12(14)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyICSVWXFXQBCJER-YRNVUSSQSA-N
MW194.32 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole

2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole (PubChem CID 142973901) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole
PubChem CID142973901
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole
SMILESCCC(C)C/C=C(\C)N1CCN=C1C
InChIInChI=1S/C12H22N2/c1-5-10(2)6-7-11(3)14-9-8-13-12(14)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyICSVWXFXQBCJER-YRNVUSSQSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,5-Dimethyl-2,3-dihydropyrrol-1-ium-1-yl)ethyl]-1,2-dimethyl-4,5-dihydroimidazol-1-ium
CID 59960083
2-methyl-1-[(E)-5-methylhex-2-en-2-yl]-4,5-dihydroimidazole
CID 142973876
(5E)-2-methyl-1-propan-2-yl-5-propylidene-4H-imidazole
CID 154967867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole?
The IUPAC name of 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole (CID 142973901) is 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole.
What is the SMILES notation for 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole?
The canonical SMILES for 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole is CCC(C)C/C=C(\C)N1CCN=C1C.
What is the InChIKey of 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole?
The InChIKey is ICSVWXFXQBCJER-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-10(2)6-7-11(3)14-9-8-13-12(14)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+.
What are the key properties of 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole?
2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-5-methylhept-2-en-2-yl]-4,5-dihydroimidazole is sourced from PubChem (CID 142973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).