2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole

C24H30N2O2 — CID 90967787

IUPAC2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole
SMILESCCOCCCOCCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C24H30N2O2/c1-2-27-18-11-19-28-17-10-9-16-22-25-23(20-12-5-3-6-13-20)24(26-22)21-14-7-4-8-15-21/h3-8,12-15H,2,9-11,16-19H2,1H3,(H,25,26)
InChIKeyXJTXKWBVBXHACJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.51
Rot. Bonds12

About 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole

2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole (PubChem CID 90967787) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole
PubChem CID90967787
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole
SMILESCCOCCCOCCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C24H30N2O2/c1-2-27-18-11-19-28-17-10-9-16-22-25-23(20-12-5-3-6-13-20)24(26-22)21-14-7-4-8-15-21/h3-8,12-15H,2,9-11,16-19H2,1H3,(H,25,26)
InChIKeyXJTXKWBVBXHACJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole (CID 90967787) is 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole is CCOCCCOCCCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is XJTXKWBVBXHACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-27-18-11-19-28-17-10-9-16-22-25-23(20-12-5-3-6-13-20)24(26-22)21-14-7-4-8-15-21/h3-8,12-15H,2,9-11,16-19H2,1H3,(H,25,26).
What are the key properties of 2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole?
2-[4-(3-ethoxypropoxy)butyl]-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-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 90967787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).