4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole

C14H21ClN2O — CID 106720824

IUPAC4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
SMILESClCc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C14H21ClN2O/c15-8-12-9-17(11-16-12)10-13-4-7-14(18-13)5-2-1-3-6-14/h9,11,13H,1-8,10H2
InChIKeyVFXLWLZAIRIIQX-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.50
Rot. Bonds3

About 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole

4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole (PubChem CID 106720824) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
PubChem CID106720824
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
SMILESClCc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C14H21ClN2O/c15-8-12-9-17(11-16-12)10-13-4-7-14(18-13)5-2-1-3-6-14/h9,11,13H,1-8,10H2
InChIKeyVFXLWLZAIRIIQX-UHFFFAOYSA-N
XLogP3.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900142
N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900144
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
4-(2-chloroethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole
CID 102900168
4-(chloromethyl)-1-(oxan-3-ylmethyl)imidazole
CID 130482826
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 102900151
3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 164636026
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 102901261
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719072
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846459
4-(1-chloropropyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole
CID 102900177

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The IUPAC name of 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole (CID 106720824) is 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The canonical SMILES for 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole is ClCc1cn(CC2CCC3(CCCCC3)O2)cn1.
What is the InChIKey of 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The InChIKey is VFXLWLZAIRIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-8-12-9-17(11-16-12)10-13-4-7-14(18-13)5-2-1-3-6-14/h9,11,13H,1-8,10H2.
What are the key properties of 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole has a molecular weight of 268.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole is sourced from PubChem (CID 106720824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).