2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole

C14H26N2 — CID 22891127

IUPAC2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)cn1CCCCC(C)C
InChIInChI=1S/C14H26N2/c1-11(2)8-6-7-9-16-10-14(12(3)4)15-13(16)5/h10-12H,6-9H2,1-5H3
InChIKeyVFWARIHTGNHXBB-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.14
Rot. Bonds6

About 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole

2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole (PubChem CID 22891127) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole.

Molecular Properties

Compound Name2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole
PubChem CID22891127
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)cn1CCCCC(C)C
InChIInChI=1S/C14H26N2/c1-11(2)8-6-7-9-16-10-14(12(3)4)15-13(16)5/h10-12H,6-9H2,1-5H3
InChIKeyVFWARIHTGNHXBB-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole?
The IUPAC name of 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole (CID 22891127) is 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole.
What is the SMILES notation for 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole?
The canonical SMILES for 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole is Cc1nc(C(C)C)cn1CCCCC(C)C.
What is the InChIKey of 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole?
The InChIKey is VFWARIHTGNHXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)8-6-7-9-16-10-14(12(3)4)15-13(16)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole?
2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole has a molecular weight of 222.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylhexyl)-4-propan-2-ylimidazole is sourced from PubChem (CID 22891127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).