4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol

C32H39N3O2 — CID 90972990

IUPAC4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol
SMILESCCCCC(NCc1ccc(O)cc1)c1c(-c2ccccc2)nc(-c2ccccc2OC)n1CCCC
InChIInChI=1S/C32H39N3O2/c1-4-6-16-28(33-23-24-18-20-26(36)21-19-24)31-30(25-13-9-8-10-14-25)34-32(35(31)22-7-5-2)27-15-11-12-17-29(27)37-3/h8-15,17-21,28,33,36H,4-7,16,22-23H2,1-3H3
InChIKeyWHYDFHKRHIWUCK-UHFFFAOYSA-N
MW497.68 g/mol
LogP7.75
Rot. Bonds13

About 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol

4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol (PubChem CID 90972990) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol
PubChem CID90972990
Molecular FormulaC32H39N3O2
Molecular Weight497.68 g/mol
Exact Mass497.30
IUPAC Name4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol
SMILESCCCCC(NCc1ccc(O)cc1)c1c(-c2ccccc2)nc(-c2ccccc2OC)n1CCCC
InChIInChI=1S/C32H39N3O2/c1-4-6-16-28(33-23-24-18-20-26(36)21-19-24)31-30(25-13-9-8-10-14-25)34-32(35(31)22-7-5-2)27-15-11-12-17-29(27)37-3/h8-15,17-21,28,33,36H,4-7,16,22-23H2,1-3H3
InChIKeyWHYDFHKRHIWUCK-UHFFFAOYSA-N
XLogP7.75
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.68
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol with MolForge

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Related Compounds

methyl 2-amino-4-[[1-(3-butyl-2,5-diphenylimidazol-4-yl)pentylamino]methyl]benzoate
CID 69326649
4-[[1-(3-butyl-5-tert-butyl-2-phenylimidazol-4-yl)pentylamino]methyl]-N-methylbenzamide
CID 91235657
[4-[[[1-(3-butyl-2,5-diphenylimidazol-4-yl)-2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl] acetate
CID 69327234
4-[[[2-(1,3-benzodioxol-5-yl)-1-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzenesulfonamide
CID 69326231
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
methyl 4-[[[1-[3-butyl-2-(2-methylphenyl)-5-phenylimidazol-4-yl]-4-methylpentan-2-yl]amino]methyl]benzoate
CID 66757125
[4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol
CID 69325741
4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol
CID 69326266
[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol
CID 69325546
methyl 5-[[[1-(3-butyl-2-phenylimidazol-4-yl)-2-phenylethyl]amino]methyl]-2-methoxybenzoate
CID 91048892
4-[[1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)pentyl]amino]methyl]-2,6-dimethylphenol
CID 58817955

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol?
The IUPAC name of 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol (CID 90972990) is 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol?
The canonical SMILES for 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol is CCCCC(NCc1ccc(O)cc1)c1c(-c2ccccc2)nc(-c2ccccc2OC)n1CCCC.
What is the InChIKey of 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol?
The InChIKey is WHYDFHKRHIWUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2/c1-4-6-16-28(33-23-24-18-20-26(36)21-19-24)31-30(25-13-9-8-10-14-25)34-32(35(31)22-7-5-2)27-15-11-12-17-29(27)37-3/h8-15,17-21,28,33,36H,4-7,16,22-23H2,1-3H3.
What are the key properties of 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol?
4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol has a molecular weight of 497.68 g/mol, XLogP of 7.75, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-butyl-2-(2-methoxyphenyl)-5-phenylimidazol-4-yl]pentylamino]methyl]phenol is sourced from PubChem (CID 90972990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).