N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine

C21H25N3 — CID 19429444

IUPACN-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
SMILESCC(C)(NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3/c1-21(2,23-13-6-15-24-16-14-22-17-24)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,14,16-17,23H,6,13,15H2,1-2H3
InChIKeySTLQFAWHJGUOJL-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.47
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine (PubChem CID 19429444) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
PubChem CID19429444
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
SMILESCC(C)(NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3/c1-21(2,23-13-6-15-24-16-14-22-17-24)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,14,16-17,23H,6,13,15H2,1-2H3
InChIKeySTLQFAWHJGUOJL-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine
CID 18349622
N-(3-imidazol-1-ylpropyl)-2-(4-phenylmethoxyphenyl)propan-2-amine;dihydrochloride
CID 18349638
2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]pentanoic acid
CID 67612775
4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-N,N-dipropylbenzenesulfonamide
CID 18349761
[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] pentanoate
CID 19429473
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
(E)-3-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]-N-pentylprop-2-enamide
CID 18349565
1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349544
N-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 18349562
4-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethylsulfamoyl]-N-methylbenzamide
CID 18349778

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine (CID 19429444) is N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine is CC(C)(NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine?
The InChIKey is STLQFAWHJGUOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-21(2,23-13-6-15-24-16-14-22-17-24)20-11-9-19(10-12-20)18-7-4-3-5-8-18/h3-5,7-12,14,16-17,23H,6,13,15H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine?
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine has a molecular weight of 319.45 g/mol, XLogP of 4.47, 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)propan-2-amine is sourced from PubChem (CID 19429444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).