2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole

C24H30N2O2 — CID 91394090

IUPAC2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole
SMILESCOCCCOCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C24H30N2O2/c1-27-17-11-19-28-18-10-4-9-16-22-25-23(20-12-5-2-6-13-20)24(26-22)21-14-7-3-8-15-21/h2-3,5-8,12-15H,4,9-11,16-19H2,1H3,(H,25,26)
InChIKeyDRVABHWGOLRQOG-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.51
Rot. Bonds12

About 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole

2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole (PubChem CID 91394090) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole
PubChem CID91394090
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole
SMILESCOCCCOCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C24H30N2O2/c1-27-17-11-19-28-18-10-4-9-16-22-25-23(20-12-5-2-6-13-20)24(26-22)21-14-7-3-8-15-21/h2-3,5-8,12-15H,4,9-11,16-19H2,1H3,(H,25,26)
InChIKeyDRVABHWGOLRQOG-UHFFFAOYSA-N
XLogP5.51
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-Triphenylimidazole
CID 10232
4,5-Diphenyl-2-methylimidazole
CID 236696
1H-Imidazol-2-amine, 4,5-diphenyl-
CID 616595
2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole
CID 800028
ethyl 6-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)hexanoate
CID 25190468
2-cyclohexyl-4,5-diphenyl-1H-imidazole
CID 1521754
2-(5,5-Dimethyl-[1,3]dioxan-2-yl)-4,5-diphenyl-1H-imidazole
CID 9884105
4,5-Diphenyl-2-(tetrahydro-pyran-2-ylmethylsulfanyl)-1H-imidazole
CID 10337963
2-(5,5-Diethyl-[1,3]dioxan-2-yl)-4,5-diphenyl-1H-imidazole
CID 10642419
2-(2,4-Dioxa-spiro[5.5]undec-3-yl)-4,5-diphenyl-1H-imidazole
CID 10690829
Benzyl-{4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-butyl}-methyl-amine
CID 10720054
[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-methanol
CID 10736591

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole (CID 91394090) is 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole is COCCCOCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is DRVABHWGOLRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-27-17-11-19-28-18-10-4-9-16-22-25-23(20-12-5-2-6-13-20)24(26-22)21-14-7-3-8-15-21/h2-3,5-8,12-15H,4,9-11,16-19H2,1H3,(H,25,26).
What are the key properties of 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole?
2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 378.52 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 91394090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).