4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole

C11H19N3O2 — CID 114999046

IUPAC4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole
SMILESCOCc1nc(C2CC(OC)CN2)[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-7-10(6-15-2)14-11(13-7)9-4-8(16-3)5-12-9/h8-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeySBEHZLIPNVFLPU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds4

About 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole

4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole (PubChem CID 114999046) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole
PubChem CID114999046
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole
SMILESCOCc1nc(C2CC(OC)CN2)[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-7-10(6-15-2)14-11(13-7)9-4-8(16-3)5-12-9/h8-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeySBEHZLIPNVFLPU-UHFFFAOYSA-N
XLogP0.91
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole?
The IUPAC name of 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole (CID 114999046) is 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole?
The canonical SMILES for 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole is COCc1nc(C2CC(OC)CN2)[nH]c1C.
What is the InChIKey of 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole?
The InChIKey is SBEHZLIPNVFLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-10(6-15-2)14-11(13-7)9-4-8(16-3)5-12-9/h8-9,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole?
4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole has a molecular weight of 225.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-methoxypyrrolidin-2-yl)-5-methyl-1H-imidazole is sourced from PubChem (CID 114999046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).