1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole

C14H26N2 — CID 22891094

IUPAC1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole
SMILESCC(C)CCCCc1cnc(C(C)C)n1C
InChIInChI=1S/C14H26N2/c1-11(2)8-6-7-9-13-10-15-14(12(3)4)16(13)5/h10-12H,6-9H2,1-5H3
InChIKeyJBEDXCFPOJAWQH-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.91
Rot. Bonds6

About 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole

1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole (PubChem CID 22891094) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole
PubChem CID22891094
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole
SMILESCC(C)CCCCc1cnc(C(C)C)n1C
InChIInChI=1S/C14H26N2/c1-11(2)8-6-7-9-13-10-15-14(12(3)4)16(13)5/h10-12H,6-9H2,1-5H3
InChIKeyJBEDXCFPOJAWQH-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole (CID 22891094) is 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole is CC(C)CCCCc1cnc(C(C)C)n1C.
What is the InChIKey of 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole?
The InChIKey is JBEDXCFPOJAWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)8-6-7-9-13-10-15-14(12(3)4)16(13)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole?
1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole has a molecular weight of 222.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methylhexyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 22891094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).