3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole

C11H22N2 — CID 166971653

IUPAC3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole
SMILESCCC(C)CCCC1NC=CN1C
InChIInChI=1S/C11H22N2/c1-4-10(2)6-5-7-11-12-8-9-13(11)3/h8-12H,4-7H2,1-3H3
InChIKeyVIQRISHIPZWBEO-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.54
Rot. Bonds5

About 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole

3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole (PubChem CID 166971653) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole
PubChem CID166971653
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole
SMILESCCC(C)CCCC1NC=CN1C
InChIInChI=1S/C11H22N2/c1-4-10(2)6-5-7-11-12-8-9-13(11)3/h8-12H,4-7H2,1-3H3
InChIKeyVIQRISHIPZWBEO-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-undecyl-2,3-dihydro-1H-imidazole
CID 10220150
3-Methyl-1-octyl-1,2-dihydroimidazol-1-ium
CID 57801170
3-(Cyclopentylmethyl)-1,2-dihydroimidazole
CID 59091162
1H-Imidazolium, 1-heptyl-3-methyl-, chloride
CID 67523476
1-Heptyl-3-methyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71361024
1-(2-ethylhexyl)-3-methyl-2H-imidazole
CID 85966754
1-methyl-3-(4-methylhexyl)-2H-imidazole
CID 89192629
3-(4-Methylhexyl)-1,2-dihydroimidazole
CID 90687471
1-ethenyl-3-(2-ethylhexyl)-2H-imidazole
CID 123232933
7-(1,2-Dihydroimidazol-3-yl)heptan-1-amine
CID 126584343
N-ethenyl-3-propylhexan-1-amine
CID 132226599
N-ethenyl-3-methylheptan-1-amine
CID 134374435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole?
The IUPAC name of 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole (CID 166971653) is 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole is CCC(C)CCCC1NC=CN1C.
What is the InChIKey of 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole?
The InChIKey is VIQRISHIPZWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10(2)6-5-7-11-12-8-9-13(11)3/h8-12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole?
3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole has a molecular weight of 182.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylhexyl)-1,2-dihydroimidazole is sourced from PubChem (CID 166971653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).