5-methyl-1-(4-methylhexyl)imidazole

C11H20N2 — CID 123640413

IUPAC5-methyl-1-(4-methylhexyl)imidazole
SMILESCCC(C)CCCn1cncc1C
InChIInChI=1S/C11H20N2/c1-4-10(2)6-5-7-13-9-12-8-11(13)3/h8-10H,4-7H2,1-3H3
InChIKeyKHEDGPBQPXGQAG-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.02
Rot. Bonds5

About 5-methyl-1-(4-methylhexyl)imidazole

5-methyl-1-(4-methylhexyl)imidazole (PubChem CID 123640413) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 5-methyl-1-(4-methylhexyl)imidazole.

Molecular Properties

Compound Name5-methyl-1-(4-methylhexyl)imidazole
PubChem CID123640413
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name5-methyl-1-(4-methylhexyl)imidazole
SMILESCCC(C)CCCn1cncc1C
InChIInChI=1S/C11H20N2/c1-4-10(2)6-5-7-13-9-12-8-11(13)3/h8-10H,4-7H2,1-3H3
InChIKeyKHEDGPBQPXGQAG-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylhexyl)imidazole?
The IUPAC name of 5-methyl-1-(4-methylhexyl)imidazole (CID 123640413) is 5-methyl-1-(4-methylhexyl)imidazole.
What is the SMILES notation for 5-methyl-1-(4-methylhexyl)imidazole?
The canonical SMILES for 5-methyl-1-(4-methylhexyl)imidazole is CCC(C)CCCn1cncc1C.
What is the InChIKey of 5-methyl-1-(4-methylhexyl)imidazole?
The InChIKey is KHEDGPBQPXGQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(2)6-5-7-13-9-12-8-11(13)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1-(4-methylhexyl)imidazole?
5-methyl-1-(4-methylhexyl)imidazole has a molecular weight of 180.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylhexyl)imidazole is sourced from PubChem (CID 123640413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).