4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole

C14H17ClN2O2 — CID 106720878

IUPAC4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
SMILESCCOc1ccccc1OCCn1cnc(CCl)c1
InChIInChI=1S/C14H17ClN2O2/c1-2-18-13-5-3-4-6-14(13)19-8-7-17-10-12(9-15)16-11-17/h3-6,10-11H,2,7-9H2,1H3
InChIKeyRWJABKYLISCXJJ-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.10
Rot. Bonds7

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

4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole (PubChem CID 106720878) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
PubChem CID106720878
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
SMILESCCOc1ccccc1OCCn1cnc(CCl)c1
InChIInChI=1S/C14H17ClN2O2/c1-2-18-13-5-3-4-6-14(13)19-8-7-17-10-12(9-15)16-11-17/h3-6,10-11H,2,7-9H2,1H3
InChIKeyRWJABKYLISCXJJ-UHFFFAOYSA-N
XLogP3.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(3-phenoxypropyl)imidazole
CID 106720865
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406724
N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 66406743
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one
CID 79109199
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one
CID 115696902
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
4-(chloromethyl)-1-[2-(2-methylphenoxy)ethyl]triazole
CID 62401566
4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
CID 106720766
4-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
CID 106720831

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole?
The IUPAC name of 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole (CID 106720878) is 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole?
The canonical SMILES for 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole is CCOc1ccccc1OCCn1cnc(CCl)c1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole?
The InChIKey is RWJABKYLISCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-18-13-5-3-4-6-14(13)19-8-7-17-10-12(9-15)16-11-17/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole?
4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole has a molecular weight of 280.76 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole is sourced from PubChem (CID 106720878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).