5-(3-methylheptan-3-yloxymethyl)-1H-imidazole

C12H22N2O — CID 130426479

IUPAC5-(3-methylheptan-3-yloxymethyl)-1H-imidazole
SMILESCCCCC(C)(CC)OCc1cnc[nH]1
InChIInChI=1S/C12H22N2O/c1-4-6-7-12(3,5-2)15-9-11-8-13-10-14-11/h8,10H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyXZEIVFNEYFCIGI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.29
Rot. Bonds7

About 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole

5-(3-methylheptan-3-yloxymethyl)-1H-imidazole (PubChem CID 130426479) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-methylheptan-3-yloxymethyl)-1H-imidazole
PubChem CID130426479
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(3-methylheptan-3-yloxymethyl)-1H-imidazole
SMILESCCCCC(C)(CC)OCc1cnc[nH]1
InChIInChI=1S/C12H22N2O/c1-4-6-7-12(3,5-2)15-9-11-8-13-10-14-11/h8,10H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyXZEIVFNEYFCIGI-UHFFFAOYSA-N
XLogP3.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole?
The IUPAC name of 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole (CID 130426479) is 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole.
What is the SMILES notation for 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole?
The canonical SMILES for 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole is CCCCC(C)(CC)OCc1cnc[nH]1.
What is the InChIKey of 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole?
The InChIKey is XZEIVFNEYFCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-7-12(3,5-2)15-9-11-8-13-10-14-11/h8,10H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole?
5-(3-methylheptan-3-yloxymethyl)-1H-imidazole has a molecular weight of 210.32 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylheptan-3-yloxymethyl)-1H-imidazole is sourced from PubChem (CID 130426479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).