[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol

C32H39N3O — CID 69326594

IUPAC[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
SMILESCCCCN(Cc1ccccc1CO)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C32H39N3O/c1-3-5-21-34(23-28-19-13-14-20-29(28)25-36)24-30-31(26-15-9-7-10-16-26)33-32(35(30)22-6-4-2)27-17-11-8-12-18-27/h7-20,36H,3-6,21-25H2,1-2H3
InChIKeyGZZLVXAQASYAMG-UHFFFAOYSA-N
MW481.68 g/mol
LogP7.31
Rot. Bonds13

About [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol

[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol (PubChem CID 69326594) has the molecular formula C32H39N3O and a molecular weight of 481.68 g/mol. Its IUPAC name is [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
PubChem CID69326594
Molecular FormulaC32H39N3O
Molecular Weight481.68 g/mol
Exact Mass481.31
IUPAC Name[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
SMILESCCCCN(Cc1ccccc1CO)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C32H39N3O/c1-3-5-21-34(23-28-19-13-14-20-29(28)25-36)24-30-31(26-15-9-7-10-16-26)33-32(35(30)22-6-4-2)27-17-11-8-12-18-27/h7-20,36H,3-6,21-25H2,1-2H3
InChIKeyGZZLVXAQASYAMG-UHFFFAOYSA-N
XLogP7.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol (CID 69326594) is [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol is CCCCN(Cc1ccccc1CO)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol?
The InChIKey is GZZLVXAQASYAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O/c1-3-5-21-34(23-28-19-13-14-20-29(28)25-36)24-30-31(26-15-9-7-10-16-26)33-32(35(30)22-6-4-2)27-17-11-8-12-18-27/h7-20,36H,3-6,21-25H2,1-2H3.
What are the key properties of [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol?
[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol has a molecular weight of 481.68 g/mol, XLogP of 7.31, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 69326594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).