2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol

C12H19ClN4O — CID 67806179

IUPAC2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol
SMILESCCc1cnc(CO)[nH]1.CCn1ccnc1CCl
InChIInChI=1S/C6H9ClN2.C6H10N2O/c1-2-9-4-3-8-6(9)5-7;1-2-5-3-7-6(4-9)8-5/h3-4H,2,5H2,1H3;3,9H,2,4H2,1H3,(H,7,8)
InChIKeyDRDORQVSBBXIFR-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.11
Rot. Bonds4

About 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol

2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol (PubChem CID 67806179) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol
PubChem CID67806179
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol
SMILESCCc1cnc(CO)[nH]1.CCn1ccnc1CCl
InChIInChI=1S/C6H9ClN2.C6H10N2O/c1-2-9-4-3-8-6(9)5-7;1-2-5-3-7-6(4-9)8-5/h3-4H,2,5H2,1H3;3,9H,2,4H2,1H3,(H,7,8)
InChIKeyDRDORQVSBBXIFR-UHFFFAOYSA-N
XLogP2.11
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol?
The IUPAC name of 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol (CID 67806179) is 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol.
What is the SMILES notation for 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol?
The canonical SMILES for 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol is CCc1cnc(CO)[nH]1.CCn1ccnc1CCl.
What is the InChIKey of 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol?
The InChIKey is DRDORQVSBBXIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2.C6H10N2O/c1-2-9-4-3-8-6(9)5-7;1-2-5-3-7-6(4-9)8-5/h3-4H,2,5H2,1H3;3,9H,2,4H2,1H3,(H,7,8).
What are the key properties of 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol?
2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol has a molecular weight of 270.76 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-ethylimidazole;(5-ethyl-1H-imidazol-2-yl)methanol is sourced from PubChem (CID 67806179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).