2-(1-methylcyclooctyl)-1H-imidazole

C12H20N2 — CID 90990454

IUPAC2-(1-methylcyclooctyl)-1H-imidazole
SMILESCC1(c2ncc[nH]2)CCCCCCC1
InChIInChI=1S/C12H20N2/c1-12(11-13-9-10-14-11)7-5-3-2-4-6-8-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyPYONXSJECXWKQA-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.41
Rot. Bonds1

About 2-(1-methylcyclooctyl)-1H-imidazole

2-(1-methylcyclooctyl)-1H-imidazole (PubChem CID 90990454) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(1-methylcyclooctyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1-methylcyclooctyl)-1H-imidazole
PubChem CID90990454
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(1-methylcyclooctyl)-1H-imidazole
SMILESCC1(c2ncc[nH]2)CCCCCCC1
InChIInChI=1S/C12H20N2/c1-12(11-13-9-10-14-11)7-5-3-2-4-6-8-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyPYONXSJECXWKQA-UHFFFAOYSA-N
XLogP3.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclooctyl)-1H-imidazole?
The IUPAC name of 2-(1-methylcyclooctyl)-1H-imidazole (CID 90990454) is 2-(1-methylcyclooctyl)-1H-imidazole.
What is the SMILES notation for 2-(1-methylcyclooctyl)-1H-imidazole?
The canonical SMILES for 2-(1-methylcyclooctyl)-1H-imidazole is CC1(c2ncc[nH]2)CCCCCCC1.
What is the InChIKey of 2-(1-methylcyclooctyl)-1H-imidazole?
The InChIKey is PYONXSJECXWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(11-13-9-10-14-11)7-5-3-2-4-6-8-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylcyclooctyl)-1H-imidazole?
2-(1-methylcyclooctyl)-1H-imidazole has a molecular weight of 192.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclooctyl)-1H-imidazole is sourced from PubChem (CID 90990454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).