5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole

C28H30N2O2 — CID 11546381

IUPAC5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2Oc2ccccc2)ncn1CCc1ccccc1OC
InChIInChI=1S/C28H30N2O2/c1-3-4-16-25-28(24-15-9-11-18-27(24)32-23-13-6-5-7-14-23)29-21-30(25)20-19-22-12-8-10-17-26(22)31-2/h5-15,17-18,21H,3-4,16,19-20H2,1-2H3
InChIKeyDJTAFCDLBBNLNE-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.94
Rot. Bonds10

About 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole

5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole (PubChem CID 11546381) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole.

Molecular Properties

Compound Name5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole
PubChem CID11546381
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2Oc2ccccc2)ncn1CCc1ccccc1OC
InChIInChI=1S/C28H30N2O2/c1-3-4-16-25-28(24-15-9-11-18-27(24)32-23-13-6-5-7-14-23)29-21-30(25)20-19-22-12-8-10-17-26(22)31-2/h5-15,17-18,21H,3-4,16,19-20H2,1-2H3
InChIKeyDJTAFCDLBBNLNE-UHFFFAOYSA-N
XLogP6.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole?
The IUPAC name of 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole (CID 11546381) is 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole.
What is the SMILES notation for 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole?
The canonical SMILES for 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole is CCCCc1c(-c2ccccc2Oc2ccccc2)ncn1CCc1ccccc1OC.
What is the InChIKey of 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole?
The InChIKey is DJTAFCDLBBNLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-3-4-16-25-28(24-15-9-11-18-27(24)32-23-13-6-5-7-14-23)29-21-30(25)20-19-22-12-8-10-17-26(22)31-2/h5-15,17-18,21H,3-4,16,19-20H2,1-2H3.
What are the key properties of 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole?
5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole has a molecular weight of 426.56 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyphenyl)imidazole is sourced from PubChem (CID 11546381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).