2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole

C17H23N3O — CID 62796313

IUPAC2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole
SMILESCOC1CNC(c2ncc(-c3cc(C)c(C)cc3C)[nH]2)C1
InChIInChI=1S/C17H23N3O/c1-10-5-12(3)14(6-11(10)2)16-9-19-17(20-16)15-7-13(21-4)8-18-15/h5-6,9,13,15,18H,7-8H2,1-4H3,(H,19,20)
InChIKeyJKFJLZOBMJQLQC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole

2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole (PubChem CID 62796313) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole
PubChem CID62796313
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole
SMILESCOC1CNC(c2ncc(-c3cc(C)c(C)cc3C)[nH]2)C1
InChIInChI=1S/C17H23N3O/c1-10-5-12(3)14(6-11(10)2)16-9-19-17(20-16)15-7-13(21-4)8-18-15/h5-6,9,13,15,18H,7-8H2,1-4H3,(H,19,20)
InChIKeyJKFJLZOBMJQLQC-UHFFFAOYSA-N
XLogP3.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
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-(2,4,5-trimethylphenyl)-1H-imidazole?
The IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole (CID 62796313) is 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole?
The canonical SMILES for 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole is COC1CNC(c2ncc(-c3cc(C)c(C)cc3C)[nH]2)C1.
What is the InChIKey of 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole?
The InChIKey is JKFJLZOBMJQLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-5-12(3)14(6-11(10)2)16-9-19-17(20-16)15-7-13(21-4)8-18-15/h5-6,9,13,15,18H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole?
2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole has a molecular weight of 285.39 g/mol, XLogP of 3.05, 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-(2,4,5-trimethylphenyl)-1H-imidazole is sourced from PubChem (CID 62796313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).