4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole

C10H17ClN2O2 — CID 106720892

IUPAC4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole
SMILESCOCCCOCCn1cnc(CCl)c1
InChIInChI=1S/C10H17ClN2O2/c1-14-4-2-5-15-6-3-13-8-10(7-11)12-9-13/h8-9H,2-7H2,1H3
InChIKeyBPJORFXKDUNLEN-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.67
Rot. Bonds8

About 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole

4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole (PubChem CID 106720892) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole
PubChem CID106720892
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole
SMILESCOCCCOCCn1cnc(CCl)c1
InChIInChI=1S/C10H17ClN2O2/c1-14-4-2-5-15-6-3-13-8-10(7-11)12-9-13/h8-9H,2-7H2,1H3
InChIKeyBPJORFXKDUNLEN-UHFFFAOYSA-N
XLogP1.67
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]methanol
CID 106717267
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210
4-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
CID 106720831
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
CID 106717261
1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
CID 163393371
ethane;1-[2-(2-methoxyethoxy)ethyl]-4-methylimidazole
CID 163393370
2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
CID 104649116
4-(chloromethyl)-1-(3-phenoxypropyl)imidazole
CID 106720865
4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
CID 106720878

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole?
The IUPAC name of 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole (CID 106720892) is 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole?
The canonical SMILES for 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole is COCCCOCCn1cnc(CCl)c1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole?
The InChIKey is BPJORFXKDUNLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-14-4-2-5-15-6-3-13-8-10(7-11)12-9-13/h8-9H,2-7H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole?
4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole has a molecular weight of 232.71 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole is sourced from PubChem (CID 106720892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).