3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine

C15H20N4O2 — CID 129096472

IUPAC3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCOCCO[C@H]1CN[C@H](c2ncc(-c3cccnc3)[nH]2)C1
InChIInChI=1S/C15H20N4O2/c1-20-5-6-21-12-7-13(17-9-12)15-18-10-14(19-15)11-3-2-4-16-8-11/h2-4,8,10,12-13,17H,5-7,9H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyAXJANLIUZQLZSV-OLZOCXBDSA-N
MW288.35 g/mol
LogP1.54
Rot. Bonds6

About 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine

3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine (PubChem CID 129096472) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
PubChem CID129096472
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCOCCO[C@H]1CN[C@H](c2ncc(-c3cccnc3)[nH]2)C1
InChIInChI=1S/C15H20N4O2/c1-20-5-6-21-12-7-13(17-9-12)15-18-10-14(19-15)11-3-2-4-16-8-11/h2-4,8,10,12-13,17H,5-7,9H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyAXJANLIUZQLZSV-OLZOCXBDSA-N
XLogP1.54
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214388
3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 43651656
5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
CID 123588571
5-(1,3-benzodioxol-5-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214973
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
4-(2,4-difluorophenoxy)-1-[(2R,4R)-4-methoxy-2-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 99815932
5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61213947
3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 154761735
3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 154761736
2-(4-methoxypyrrolidin-2-yl)-5-(2,4,5-trimethylphenyl)-1H-imidazole
CID 62796313
2-(2,4-dichlorophenyl)-1-[(2S,4R)-4-methoxy-2-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 99815930
5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214828

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine (CID 129096472) is 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine is COCCO[C@H]1CN[C@H](c2ncc(-c3cccnc3)[nH]2)C1.
What is the InChIKey of 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
The InChIKey is AXJANLIUZQLZSV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-5-6-21-12-7-13(17-9-12)15-18-10-14(19-15)11-3-2-4-16-8-11/h2-4,8,10,12-13,17H,5-7,9H2,1H3,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine has a molecular weight of 288.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 129096472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).