5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole

C14H25N3O2 — CID 129096516

IUPAC5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCCO[C@H]1CN[C@H](c2ncc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)12-9-16-13(17-12)11-7-10(8-15-11)19-6-5-18-4/h9-11,15H,5-8H2,1-4H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyKCXQOIFNZCNJCY-MNOVXSKESA-N
MW267.37 g/mol
LogP1.77
Rot. Bonds5

About 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole

5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole (PubChem CID 129096516) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
PubChem CID129096516
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCCO[C@H]1CN[C@H](c2ncc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)12-9-16-13(17-12)11-7-10(8-15-11)19-6-5-18-4/h9-11,15H,5-8H2,1-4H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyKCXQOIFNZCNJCY-MNOVXSKESA-N
XLogP1.77
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole (CID 129096516) is 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole is COCCO[C@H]1CN[C@H](c2ncc(C(C)(C)C)[nH]2)C1.
What is the InChIKey of 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is KCXQOIFNZCNJCY-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)12-9-16-13(17-12)11-7-10(8-15-11)19-6-5-18-4/h9-11,15H,5-8H2,1-4H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 267.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 129096516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).