1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole

C13H26N2O2 — CID 102024168

IUPAC1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole
SMILESCOCCCN1CN(CCCOC)C(C)=C1C
InChIInChI=1S/C13H26N2O2/c1-12-13(2)15(8-6-10-17-4)11-14(12)7-5-9-16-3/h5-11H2,1-4H3
InChIKeyPOGDIWJIZSZGNI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.89
Rot. Bonds8

About 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole

1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole (PubChem CID 102024168) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole
PubChem CID102024168
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole
SMILESCOCCCN1CN(CCCOC)C(C)=C1C
InChIInChI=1S/C13H26N2O2/c1-12-13(2)15(8-6-10-17-4)11-14(12)7-5-9-16-3/h5-11H2,1-4H3
InChIKeyPOGDIWJIZSZGNI-UHFFFAOYSA-N
XLogP1.89
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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6-amino-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
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1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
CID 63602475
1-(3-methoxypropyl)-3-methylpiperazin-2-one
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1-ethyl-3-(3-methoxypropyl)-2H-imidazole
CID 175382331
3-(2-methoxyethyl)-4,5-dimethyl-2H-1,3-thiazole
CID 141189971
ethyl 4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 142565074
1-(4-methoxybutyl)piperidine-2,4-dione
CID 79517353
1,3-bis(3-methoxypropyl)piperazine-2,5-dione
CID 174909939
5-ethyl-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
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(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole?
The IUPAC name of 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole (CID 102024168) is 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole.
What is the SMILES notation for 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole?
The canonical SMILES for 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole is COCCCN1CN(CCCOC)C(C)=C1C.
What is the InChIKey of 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole?
The InChIKey is POGDIWJIZSZGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12-13(2)15(8-6-10-17-4)11-14(12)7-5-9-16-3/h5-11H2,1-4H3.
What are the key properties of 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole?
1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole has a molecular weight of 242.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methoxypropyl)-4,5-dimethyl-2H-imidazole is sourced from PubChem (CID 102024168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).