4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole

C10H15ClN2 — CID 130482405

IUPAC4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole
SMILESCCC1(n2cnc(CCl)c2)CCC1
InChIInChI=1S/C10H15ClN2/c1-2-10(4-3-5-10)13-7-9(6-11)12-8-13/h7-8H,2-6H2,1H3
InChIKeyCHROHOSITHULNQ-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.91
Rot. Bonds3

About 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole

4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole (PubChem CID 130482405) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole
PubChem CID130482405
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole
SMILESCCC1(n2cnc(CCl)c2)CCC1
InChIInChI=1S/C10H15ClN2/c1-2-10(4-3-5-10)13-7-9(6-11)12-8-13/h7-8H,2-6H2,1H3
InChIKeyCHROHOSITHULNQ-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole?
The IUPAC name of 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole (CID 130482405) is 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole?
The canonical SMILES for 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole is CCC1(n2cnc(CCl)c2)CCC1.
What is the InChIKey of 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole?
The InChIKey is CHROHOSITHULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-10(4-3-5-10)13-7-9(6-11)12-8-13/h7-8H,2-6H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole?
4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole has a molecular weight of 198.70 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(1-ethylcyclobutyl)imidazole is sourced from PubChem (CID 130482405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).