2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole

C14H18N2O3 — CID 110539968

IUPAC2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
SMILESCCOc1c(OC)cc(-c2nccn2C)cc1OC
InChIInChI=1S/C14H18N2O3/c1-5-19-13-11(17-3)8-10(9-12(13)18-4)14-15-6-7-16(14)2/h6-9H,5H2,1-4H3
InChIKeyQJIBCZNIXRUZPM-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole

2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole (PubChem CID 110539968) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
PubChem CID110539968
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
SMILESCCOc1c(OC)cc(-c2nccn2C)cc1OC
InChIInChI=1S/C14H18N2O3/c1-5-19-13-11(17-3)8-10(9-12(13)18-4)14-15-6-7-16(14)2/h6-9H,5H2,1-4H3
InChIKeyQJIBCZNIXRUZPM-UHFFFAOYSA-N
XLogP2.50
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-(3-chloro-4,5-diethoxyphenyl)-1-methylsulfonylimidazole
CID 110536202
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63974301
2-(3-bromo-4-propoxyphenyl)-1-methylimidazole
CID 110538855
N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25067024
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole?
The IUPAC name of 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole (CID 110539968) is 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole?
The canonical SMILES for 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole is CCOc1c(OC)cc(-c2nccn2C)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole?
The InChIKey is QJIBCZNIXRUZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-5-19-13-11(17-3)8-10(9-12(13)18-4)14-15-6-7-16(14)2/h6-9H,5H2,1-4H3.
What are the key properties of 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole?
2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole has a molecular weight of 262.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole is sourced from PubChem (CID 110539968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).