1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole

C14H18N2O2 — CID 70489774

IUPAC1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole
SMILESCOc1cccc(OC)c1C(C)n1ccnc1C
InChIInChI=1S/C14H18N2O2/c1-10(16-9-8-15-11(16)2)14-12(17-3)6-5-7-13(14)18-4/h5-10H,1-4H3
InChIKeyMBVSJGYRZOVPLT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole

1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole (PubChem CID 70489774) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole
PubChem CID70489774
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole
SMILESCOc1cccc(OC)c1C(C)n1ccnc1C
InChIInChI=1S/C14H18N2O2/c1-10(16-9-8-15-11(16)2)14-12(17-3)6-5-7-13(14)18-4/h5-10H,1-4H3
InChIKeyMBVSJGYRZOVPLT-UHFFFAOYSA-N
XLogP2.82
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Neticonazole
CID 5282433
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
(2-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanol
CID 2870390
1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole
CID 10267149
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-7-methoxy-
CID 11288325
4-Imidazol-1-yl-2-phenyl-chroman-7-ol
CID 11779089
2,4-Trans-4'-hydroxy-4-imidazolyl-7-methoxyflavan, 3d
CID 54580299
2,4-Trans-4'-cyano-4-imidazolyl-7-methoxyflavan, 3c
CID 54587195
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
4-Imidazol-1-ylmethyl-2-(3-methoxy-phenoxy)-benzonitrile
CID 21697118
4-(2,6-Dimethoxyphenyl)-1H-imidazole
CID 24971333

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole?
The IUPAC name of 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole (CID 70489774) is 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole.
What is the SMILES notation for 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole?
The canonical SMILES for 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole is COc1cccc(OC)c1C(C)n1ccnc1C.
What is the InChIKey of 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole?
The InChIKey is MBVSJGYRZOVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(16-9-8-15-11(16)2)14-12(17-3)6-5-7-13(14)18-4/h5-10H,1-4H3.
What are the key properties of 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole?
1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole has a molecular weight of 246.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole is sourced from PubChem (CID 70489774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).