N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide

C20H21N3O — CID 35513194

IUPACN-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCn1ccnc1
InChIInChI=1S/C20H21N3O/c24-20(22-11-4-13-23-14-12-21-16-23)15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,12,14,16H,4,11,13,15H2,(H,22,24)
InChIKeyRHKIOORGZVKDPS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.30
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide (PubChem CID 35513194) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
PubChem CID35513194
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCn1ccnc1
InChIInChI=1S/C20H21N3O/c24-20(22-11-4-13-23-14-12-21-16-23)15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,12,14,16H,4,11,13,15H2,(H,22,24)
InChIKeyRHKIOORGZVKDPS-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325611
tert-butyl N-[4-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]phenyl]carbamate
CID 39977884
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
CID 71688676
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
N-(3-imidazol-1-ylpropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51162149

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide (CID 35513194) is N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide?
The InChIKey is RHKIOORGZVKDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(22-11-4-13-23-14-12-21-16-23)15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,12,14,16H,4,11,13,15H2,(H,22,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 35513194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).