5-[2-(4-methylphenoxy)ethyl]-1H-imidazole

C12H14N2O — CID 10536116

IUPAC5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
SMILESCc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-10-2-4-12(5-3-10)15-7-6-11-8-13-9-14-11/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyKCOHBWWASREBDP-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.34
Rot. Bonds4

About 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole

5-[2-(4-methylphenoxy)ethyl]-1H-imidazole (PubChem CID 10536116) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
PubChem CID10536116
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
SMILESCc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-10-2-4-12(5-3-10)15-7-6-11-8-13-9-14-11/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyKCOHBWWASREBDP-UHFFFAOYSA-N
XLogP2.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole?
The IUPAC name of 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole (CID 10536116) is 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole is Cc1ccc(OCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole?
The InChIKey is KCOHBWWASREBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-2-4-12(5-3-10)15-7-6-11-8-13-9-14-11/h2-5,8-9H,6-7H2,1H3,(H,13,14).
What are the key properties of 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole?
5-[2-(4-methylphenoxy)ethyl]-1H-imidazole has a molecular weight of 202.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenoxy)ethyl]-1H-imidazole is sourced from PubChem (CID 10536116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).