2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole

C20H22N2O2 — CID 91365259

IUPAC2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole
SMILESCOCOCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H22N2O2/c1-23-15-24-14-8-13-18-21-19(16-9-4-2-5-10-16)20(22-18)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3,(H,21,22)
InChIKeyZNIPUGGKINYXHJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.30
Rot. Bonds8

About 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole

2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole (PubChem CID 91365259) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole
PubChem CID91365259
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole
SMILESCOCOCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H22N2O2/c1-23-15-24-14-8-13-18-21-19(16-9-4-2-5-10-16)20(22-18)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3,(H,21,22)
InChIKeyZNIPUGGKINYXHJ-UHFFFAOYSA-N
XLogP4.30
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole (CID 91365259) is 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole is COCOCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is ZNIPUGGKINYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-23-15-24-14-8-13-18-21-19(16-9-4-2-5-10-16)20(22-18)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3,(H,21,22).
What are the key properties of 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole?
2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 322.41 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 91365259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).