1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole

C14H18N2O2 — CID 117188658

IUPAC1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
SMILESCCn1c(C)cnc1COc1cccc(OC)c1
InChIInChI=1S/C14H18N2O2/c1-4-16-11(2)9-15-14(16)10-18-13-7-5-6-12(8-13)17-3/h5-9H,4,10H2,1-3H3
InChIKeyNNHPWQOHSDJDFL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.80
Rot. Bonds5

About 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole

1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole (PubChem CID 117188658) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
PubChem CID117188658
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
SMILESCCn1c(C)cnc1COc1cccc(OC)c1
InChIInChI=1S/C14H18N2O2/c1-4-16-11(2)9-15-14(16)10-18-13-7-5-6-12(8-13)17-3/h5-9H,4,10H2,1-3H3
InChIKeyNNHPWQOHSDJDFL-UHFFFAOYSA-N
XLogP2.80
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[(2-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188610
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
CID 117217960
5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732
2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188251
4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole
CID 75517770

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole?
The IUPAC name of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole (CID 117188658) is 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole.
What is the SMILES notation for 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole?
The canonical SMILES for 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole is CCn1c(C)cnc1COc1cccc(OC)c1.
What is the InChIKey of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole?
The InChIKey is NNHPWQOHSDJDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16-11(2)9-15-14(16)10-18-13-7-5-6-12(8-13)17-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole?
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole has a molecular weight of 246.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole is sourced from PubChem (CID 117188658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).