2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

C28H29FN4O2 — CID 139886389

IUPAC2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cc1nccn1Cc1ccccc1F)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C28H29FN4O2/c29-25-9-5-4-8-23(25)20-33-17-16-31-27(33)18-28(35)32-24-12-10-21(11-13-24)14-15-30-19-26(34)22-6-2-1-3-7-22/h1-13,16-17,26,30,34H,14-15,18-20H2,(H,32,35)/t26-/m0/s1
InChIKeyBJSZNGVXXFZYRK-SANMLTNESA-N
MW472.56 g/mol
LogP4.12
Rot. Bonds11

About 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 139886389) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
PubChem CID139886389
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cc1nccn1Cc1ccccc1F)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C28H29FN4O2/c29-25-9-5-4-8-23(25)20-33-17-16-31-27(33)18-28(35)32-24-12-10-21(11-13-24)14-15-30-19-26(34)22-6-2-1-3-7-22/h1-13,16-17,26,30,34H,14-15,18-20H2,(H,32,35)/t26-/m0/s1
InChIKeyBJSZNGVXXFZYRK-SANMLTNESA-N
XLogP4.12
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 139886347
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-2-yl]acetamide;dihydrochloride
CID 18319850
2-[1-[(2-chloro-4-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 139886382
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46192969
2-[1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-yl]-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;dihydrochloride
CID 18319769
2-(1-benzyl-1,2,4-triazol-3-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319715
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-[(3,4,5-trifluorophenyl)methyl]imidazol-2-yl]-N-phenylacetamide;dihydrochloride
CID 139886380
2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;dihydrochloride
CID 18319828
2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 125418925
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide (CID 139886389) is 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide is O=C(Cc1nccn1Cc1ccccc1F)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is BJSZNGVXXFZYRK-SANMLTNESA-N. The full InChI is InChI=1S/C28H29FN4O2/c29-25-9-5-4-8-23(25)20-33-17-16-31-27(33)18-28(35)32-24-12-10-21(11-13-24)14-15-30-19-26(34)22-6-2-1-3-7-22/h1-13,16-17,26,30,34H,14-15,18-20H2,(H,32,35)/t26-/m0/s1.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 472.56 g/mol, XLogP of 4.12, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 139886389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).