2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole

C19H20N2O — CID 137403215

IUPAC2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole
SMILESCc1cccc(OCc2nc(-c3ccccc3)cn2C)c1C
InChIInChI=1S/C19H20N2O/c1-14-8-7-11-18(15(14)2)22-13-19-20-17(12-21(19)3)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3
InChIKeyDBQCXHKWQNLPKP-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.28
Rot. Bonds4

About 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole

2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole (PubChem CID 137403215) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole.

Molecular Properties

Compound Name2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole
PubChem CID137403215
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole
SMILESCc1cccc(OCc2nc(-c3ccccc3)cn2C)c1C
InChIInChI=1S/C19H20N2O/c1-14-8-7-11-18(15(14)2)22-13-19-20-17(12-21(19)3)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3
InChIKeyDBQCXHKWQNLPKP-UHFFFAOYSA-N
XLogP4.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dimethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 1092713
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144857
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504
2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144856
2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 11623933
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
CID 82304830
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306
6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080095
2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
CID 103825960
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187276

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole?
The IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole (CID 137403215) is 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole.
What is the SMILES notation for 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole?
The canonical SMILES for 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole is Cc1cccc(OCc2nc(-c3ccccc3)cn2C)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole?
The InChIKey is DBQCXHKWQNLPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-8-7-11-18(15(14)2)22-13-19-20-17(12-21(19)3)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3.
What are the key properties of 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole?
2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole has a molecular weight of 292.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole is sourced from PubChem (CID 137403215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).