2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid

C18H24N2O5 — CID 171322062

IUPAC2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
SMILESCOc1cc(C)cc(-c2nccn2CC2CCCO2)c1OC.O=CO
InChIInChI=1S/C17H22N2O3.CH2O2/c1-12-9-14(16(21-3)15(10-12)20-2)17-18-6-7-19(17)11-13-5-4-8-22-13;2-1-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3;1H,(H,2,3)
InChIKeyJCWIILNQJLFQNP-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.76
Rot. Bonds5

About 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid

2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid (PubChem CID 171322062) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
PubChem CID171322062
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
SMILESCOc1cc(C)cc(-c2nccn2CC2CCCO2)c1OC.O=CO
InChIInChI=1S/C17H22N2O3.CH2O2/c1-12-9-14(16(21-3)15(10-12)20-2)17-18-6-7-19(17)11-13-5-4-8-22-13;2-1-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3;1H,(H,2,3)
InChIKeyJCWIILNQJLFQNP-UHFFFAOYSA-N
XLogP2.76
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-3,5-dimethylphenyl)-1-(oxan-3-ylmethyl)imidazole
CID 56876111
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid
CID 171712172
2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine
CID 165420343
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine
CID 166598207
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108994315
2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 82562308
3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 165422015
(3-chloro-4,5-dimethoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51151969
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081
1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
CID 106680079

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid?
The IUPAC name of 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid (CID 171322062) is 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid.
What is the SMILES notation for 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid?
The canonical SMILES for 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid is COc1cc(C)cc(-c2nccn2CC2CCCO2)c1OC.O=CO.
What is the InChIKey of 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid?
The InChIKey is JCWIILNQJLFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.CH2O2/c1-12-9-14(16(21-3)15(10-12)20-2)17-18-6-7-19(17)11-13-5-4-8-22-13;2-1-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3;1H,(H,2,3).
What are the key properties of 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid?
2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid has a molecular weight of 348.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid is sourced from PubChem (CID 171322062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).