2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

C26H33N5O2 — CID 42825392

IUPAC2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCCN2CCOCC2)cc1
InChIInChI=1S/C26H33N5O2/c1-20(2)21-8-10-23(11-9-21)31-19-24(22-6-4-3-5-7-22)28-26(31)29-25(32)18-27-12-13-30-14-16-33-17-15-30/h3-11,19-20,27H,12-18H2,1-2H3,(H,28,29,32)
InChIKeyQENRECLQNUROOI-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.52
Rot. Bonds9

About 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (PubChem CID 42825392) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
PubChem CID42825392
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCCN2CCOCC2)cc1
InChIInChI=1S/C26H33N5O2/c1-20(2)21-8-10-23(11-9-21)31-19-24(22-6-4-3-5-7-22)28-26(31)29-25(32)18-27-12-13-30-14-16-33-17-15-30/h3-11,19-20,27H,12-18H2,1-2H3,(H,28,29,32)
InChIKeyQENRECLQNUROOI-UHFFFAOYSA-N
XLogP3.52
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (CID 42825392) is 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCCN2CCOCC2)cc1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The InChIKey is QENRECLQNUROOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-20(2)21-8-10-23(11-9-21)31-19-24(22-6-4-3-5-7-22)28-26(31)29-25(32)18-27-12-13-30-14-16-33-17-15-30/h3-11,19-20,27H,12-18H2,1-2H3,(H,28,29,32).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 42825392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).