5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole

C13H16N2O — CID 103741840

IUPAC5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
SMILESCc1cccc(OCc2cncn2C)c1C
InChIInChI=1S/C13H16N2O/c1-10-5-4-6-13(11(10)2)16-8-12-7-14-9-15(12)3/h4-7,9H,8H2,1-3H3
InChIKeyXIFUIRHUZMDBBC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.62
Rot. Bonds3

About 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole

5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole (PubChem CID 103741840) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
PubChem CID103741840
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
SMILESCc1cccc(OCc2cncn2C)c1C
InChIInChI=1S/C13H16N2O/c1-10-5-4-6-13(11(10)2)16-8-12-7-14-9-15(12)3/h4-7,9H,8H2,1-3H3
InChIKeyXIFUIRHUZMDBBC-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonyl chloride
CID 82917401
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921804
[6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79156485
2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 66154225
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
2-methyl-N-[[5-methyl-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141510

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole (CID 103741840) is 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole is Cc1cccc(OCc2cncn2C)c1C.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole?
The InChIKey is XIFUIRHUZMDBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-5-4-6-13(11(10)2)16-8-12-7-14-9-15(12)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole?
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole has a molecular weight of 216.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 103741840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).