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

C15H19N3O — CID 61213233

IUPAC2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole
SMILESCOC1CNC(c2nc(-c3ccccc3)c(C)[nH]2)C1
InChIInChI=1S/C15H19N3O/c1-10-14(11-6-4-3-5-7-11)18-15(17-10)13-8-12(19-2)9-16-13/h3-7,12-13,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyPKQUYUGRFRXHGZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds3

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

2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole (PubChem CID 61213233) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole
PubChem CID61213233
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole
SMILESCOC1CNC(c2nc(-c3ccccc3)c(C)[nH]2)C1
InChIInChI=1S/C15H19N3O/c1-10-14(11-6-4-3-5-7-11)18-15(17-10)13-8-12(19-2)9-16-13/h3-7,12-13,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyPKQUYUGRFRXHGZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole?
The IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole (CID 61213233) is 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole?
The canonical SMILES for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole is COC1CNC(c2nc(-c3ccccc3)c(C)[nH]2)C1.
What is the InChIKey of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole?
The InChIKey is PKQUYUGRFRXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-14(11-6-4-3-5-7-11)18-15(17-10)13-8-12(19-2)9-16-13/h3-7,12-13,16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole?
2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole has a molecular weight of 257.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 61213233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).