4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol

C34H43N3O3 — CID 69325546

IUPAC4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol
SMILESCCCCN(Cc1ccc(O)c(OCC)c1)Cc1c(-c2ccccc2OC)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C34H43N3O3/c1-5-8-21-36(24-26-19-20-30(38)32(23-26)40-7-3)25-29-33(28-17-13-14-18-31(28)39-4)35-34(37(29)22-9-6-2)27-15-11-10-12-16-27/h10-20,23,38H,5-9,21-22,24-25H2,1-4H3
InChIKeyHEPDRXUHHIOWQW-UHFFFAOYSA-N
MW541.74 g/mol
LogP7.93
Rot. Bonds15

About 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol

4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol (PubChem CID 69325546) has the molecular formula C34H43N3O3 and a molecular weight of 541.74 g/mol. Its IUPAC name is 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol
PubChem CID69325546
Molecular FormulaC34H43N3O3
Molecular Weight541.74 g/mol
Exact Mass541.33
IUPAC Name4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol
SMILESCCCCN(Cc1ccc(O)c(OCC)c1)Cc1c(-c2ccccc2OC)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C34H43N3O3/c1-5-8-21-36(24-26-19-20-30(38)32(23-26)40-7-3)25-29-33(28-17-13-14-18-31(28)39-4)35-34(37(29)22-9-6-2)27-15-11-10-12-16-27/h10-20,23,38H,5-9,21-22,24-25H2,1-4H3
InChIKeyHEPDRXUHHIOWQW-UHFFFAOYSA-N
XLogP7.93
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol (CID 69325546) is 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol is CCCCN(Cc1ccc(O)c(OCC)c1)Cc1c(-c2ccccc2OC)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol?
The InChIKey is HEPDRXUHHIOWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O3/c1-5-8-21-36(24-26-19-20-30(38)32(23-26)40-7-3)25-29-33(28-17-13-14-18-31(28)39-4)35-34(37(29)22-9-6-2)27-15-11-10-12-16-27/h10-20,23,38H,5-9,21-22,24-25H2,1-4H3.
What are the key properties of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol?
4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol has a molecular weight of 541.74 g/mol, XLogP of 7.93, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol is sourced from PubChem (CID 69325546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).