5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole

C10H17ClN2O — CID 174383518

IUPAC5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole
SMILESCCCc1ncc(CCl)n1OC(C)C
InChIInChI=1S/C10H17ClN2O/c1-4-5-10-12-7-9(6-11)13(10)14-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyOMTJEUJGXDFNBO-UHFFFAOYSA-N
MW216.71 g/mol
LogP2.41
Rot. Bonds5

About 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole

5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole (PubChem CID 174383518) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole
PubChem CID174383518
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole
SMILESCCCc1ncc(CCl)n1OC(C)C
InChIInChI=1S/C10H17ClN2O/c1-4-5-10-12-7-9(6-11)13(10)14-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyOMTJEUJGXDFNBO-UHFFFAOYSA-N
XLogP2.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole?
The IUPAC name of 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole (CID 174383518) is 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole.
What is the SMILES notation for 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole?
The canonical SMILES for 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole is CCCc1ncc(CCl)n1OC(C)C.
What is the InChIKey of 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole?
The InChIKey is OMTJEUJGXDFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c1-4-5-10-12-7-9(6-11)13(10)14-8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole?
5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole has a molecular weight of 216.71 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole is sourced from PubChem (CID 174383518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).