1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C13H23N3O2 — CID 114102706

IUPAC1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCOCC(Cn1cncc1C1(C)CCNC1)OC
InChIInChI=1S/C13H23N3O2/c1-13(4-5-14-9-13)12-6-15-10-16(12)7-11(18-3)8-17-2/h6,10-11,14H,4-5,7-9H2,1-3H3
InChIKeyBOEBCNRPMLJJOS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.80
Rot. Bonds6

About 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114102706) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114102706
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCOCC(Cn1cncc1C1(C)CCNC1)OC
InChIInChI=1S/C13H23N3O2/c1-13(4-5-14-9-13)12-6-15-10-16(12)7-11(18-3)8-17-2/h6,10-11,14H,4-5,7-9H2,1-3H3
InChIKeyBOEBCNRPMLJJOS-UHFFFAOYSA-N
XLogP0.80
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114102706) is 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole is COCC(Cn1cncc1C1(C)CCNC1)OC.
What is the InChIKey of 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is BOEBCNRPMLJJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(4-5-14-9-13)12-6-15-10-16(12)7-11(18-3)8-17-2/h6,10-11,14H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 253.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxypropyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114102706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).