N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide

C26H25N3O2 — CID 24753176

IUPACN-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NCCc1cn(Cc2ccccc2)cn1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O2/c30-25(26(31,22-12-6-2-7-13-22)23-14-8-3-9-15-23)27-17-16-24-19-29(20-28-24)18-21-10-4-1-5-11-21/h1-15,19-20,31H,16-18H2,(H,27,30)
InChIKeyJEEQBQPTHAHIQB-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.53
Rot. Bonds8

About N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide

N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 24753176) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide
PubChem CID24753176
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NCCc1cn(Cc2ccccc2)cn1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O2/c30-25(26(31,22-12-6-2-7-13-22)23-14-8-3-9-15-23)27-17-16-24-19-29(20-28-24)18-21-10-4-1-5-11-21/h1-15,19-20,31H,16-18H2,(H,27,30)
InChIKeyJEEQBQPTHAHIQB-UHFFFAOYSA-N
XLogP3.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350
(1-benzylimidazol-4-yl)methanamine
CID 82281097
2-[2-(1-benzylimidazol-4-yl)ethoxy]benzoic acid
CID 57076106
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]ethylamino]ethyl]-3-(1-benzylimidazol-4-yl)propanamide
CID 11827812
1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
CID 67751239
(1-benzylimidazol-4-yl)methanethiol
CID 144964531
tert-butyl N-[2-(1-phenacylimidazol-4-yl)ethyl]carbamate
CID 11438898
2-(1-benzylimidazol-4-yl)acetaldehyde
CID 83880657
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide;dihydrochloride
CID 119687948
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2,2-dimethyl-3-phenylpropyl)propanamide;dihydrochloride
CID 119794372
2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
CID 178096968
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(4-tert-butylphenyl)propanamide;dihydrochloride
CID 119671563

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide (CID 24753176) is N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide is O=C(NCCc1cn(Cc2ccccc2)cn1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is JEEQBQPTHAHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-25(26(31,22-12-6-2-7-13-22)23-14-8-3-9-15-23)27-17-16-24-19-29(20-28-24)18-21-10-4-1-5-11-21/h1-15,19-20,31H,16-18H2,(H,27,30).
What are the key properties of N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide?
N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 411.51 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-4-yl)ethyl]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 24753176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).