1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole

C12H13ClN2O — CID 2985120

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole
SMILESCc1cc(OCCn2ccnc2)ccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-10-8-11(2-3-12(10)13)16-7-6-15-5-4-14-9-15/h2-5,8-9H,6-7H2,1H3
InChIKeyIEFARKCYRUQEDE-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.92
Rot. Bonds4

About 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole

1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole (PubChem CID 2985120) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole
PubChem CID2985120
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole
SMILESCc1cc(OCCn2ccnc2)ccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-10-8-11(2-3-12(10)13)16-7-6-15-5-4-14-9-15/h2-5,8-9H,6-7H2,1H3
InChIKeyIEFARKCYRUQEDE-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole (CID 2985120) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole is Cc1cc(OCCn2ccnc2)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole?
The InChIKey is IEFARKCYRUQEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-10-8-11(2-3-12(10)13)16-7-6-15-5-4-14-9-15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole?
1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole has a molecular weight of 236.70 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methylphenoxy)ethyl]imidazole is sourced from PubChem (CID 2985120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).