1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole

C18H25N3O2 — CID 118630819

IUPAC1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCOCCOCCn1cc(-c2ccccc2)nc1[C@@H]1CCCN1
InChIInChI=1S/C18H25N3O2/c1-22-12-13-23-11-10-21-14-17(15-6-3-2-4-7-15)20-18(21)16-8-5-9-19-16/h2-4,6-7,14,16,19H,5,8-13H2,1H3/t16-/m0/s1
InChIKeyYAFVMCYDBIQFDW-INIZCTEOSA-N
MW315.42 g/mol
LogP2.64
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole

1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 118630819) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID118630819
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCOCCOCCn1cc(-c2ccccc2)nc1[C@@H]1CCCN1
InChIInChI=1S/C18H25N3O2/c1-22-12-13-23-11-10-21-14-17(15-6-3-2-4-7-15)20-18(21)16-8-5-9-19-16/h2-4,6-7,14,16,19H,5,8-13H2,1H3/t16-/m0/s1
InChIKeyYAFVMCYDBIQFDW-INIZCTEOSA-N
XLogP2.64
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole (CID 118630819) is 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole is COCCOCCn1cc(-c2ccccc2)nc1[C@@H]1CCCN1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is YAFVMCYDBIQFDW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-22-12-13-23-11-10-21-14-17(15-6-3-2-4-7-15)20-18(21)16-8-5-9-19-16/h2-4,6-7,14,16,19H,5,8-13H2,1H3/t16-/m0/s1.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole?
1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 315.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-4-phenyl-2-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 118630819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).