5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol

C15H21N3O — CID 107267783

IUPAC5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-13(19)3-2-8-16-11-14-4-6-15(7-5-14)18-10-9-17-12-18/h4-7,9-10,12-13,16,19H,2-3,8,11H2,1H3
InChIKeyADGUYNYXOCUHDY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds7

About 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol

5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol (PubChem CID 107267783) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
PubChem CID107267783
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-13(19)3-2-8-16-11-14-4-6-15(7-5-14)18-10-9-17-12-18/h4-7,9-10,12-13,16,19H,2-3,8,11H2,1H3
InChIKeyADGUYNYXOCUHDY-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344

Frequently Asked Questions

What is the IUPAC name of 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol (CID 107267783) is 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol is CC(O)CCCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol?
The InChIKey is ADGUYNYXOCUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(19)3-2-8-16-11-14-4-6-15(7-5-14)18-10-9-17-12-18/h4-7,9-10,12-13,16,19H,2-3,8,11H2,1H3.
What are the key properties of 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol?
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 107267783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).