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

C36H38N4O2 — CID 67209854

IUPACN-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(O)cc1)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C36H38N4O2/c1-3-4-23-40-34(35(30-11-7-5-8-12-30)38-36(40)31-13-9-6-10-14-31)26-39(25-29-17-21-33(42)22-18-29)24-28-15-19-32(20-16-28)37-27(2)41/h5-22,42H,3-4,23-26H2,1-2H3,(H,37,41)
InChIKeyVGIDGOVSCFBRHP-UHFFFAOYSA-N
MW558.73 g/mol
LogP7.88
Rot. Bonds12

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

N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide (PubChem CID 67209854) has the molecular formula C36H38N4O2 and a molecular weight of 558.73 g/mol. Its IUPAC name is N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide
PubChem CID67209854
Molecular FormulaC36H38N4O2
Molecular Weight558.73 g/mol
Exact Mass558.30
IUPAC NameN-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(O)cc1)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C36H38N4O2/c1-3-4-23-40-34(35(30-11-7-5-8-12-30)38-36(40)31-13-9-6-10-14-31)26-39(25-29-17-21-33(42)22-18-29)24-28-15-19-32(20-16-28)37-27(2)41/h5-22,42H,3-4,23-26H2,1-2H3,(H,37,41)
InChIKeyVGIDGOVSCFBRHP-UHFFFAOYSA-N
XLogP7.88
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide (CID 67209854) is N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(O)cc1)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The InChIKey is VGIDGOVSCFBRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4O2/c1-3-4-23-40-34(35(30-11-7-5-8-12-30)38-36(40)31-13-9-6-10-14-31)26-39(25-29-17-21-33(42)22-18-29)24-28-15-19-32(20-16-28)37-27(2)41/h5-22,42H,3-4,23-26H2,1-2H3,(H,37,41).
What are the key properties of N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide?
N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide has a molecular weight of 558.73 g/mol, XLogP of 7.88, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-hydroxyphenyl)methyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 67209854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).