5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole

C14H18N2O — CID 3061235

IUPAC5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole
SMILESCCOC(c1cnc[nH]1)c1c(C)cccc1C
InChIInChI=1S/C14H18N2O/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3/h5-9,14H,4H2,1-3H3,(H,15,16)
InChIKeyIPUINQCRQWXRSQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.15
Rot. Bonds4

About 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole

5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole (PubChem CID 3061235) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole
PubChem CID3061235
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole
SMILESCCOC(c1cnc[nH]1)c1c(C)cccc1C
InChIInChI=1S/C14H18N2O/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3/h5-9,14H,4H2,1-3H3,(H,15,16)
InChIKeyIPUINQCRQWXRSQ-UHFFFAOYSA-N
XLogP3.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole?
The IUPAC name of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole (CID 3061235) is 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole?
The canonical SMILES for 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole is CCOC(c1cnc[nH]1)c1c(C)cccc1C.
What is the InChIKey of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole?
The InChIKey is IPUINQCRQWXRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3/h5-9,14H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole?
5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole has a molecular weight of 230.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole is sourced from PubChem (CID 3061235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).