1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol

C16H23N3O — CID 111468204

IUPAC1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)16(20)7-8-17-11-14-3-5-15(6-4-14)19-10-9-18-12-19/h3-6,9-10,12-13,16-17,20H,7-8,11H2,1-2H3
InChIKeyOHFHVFUFZGEHMW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds7

About 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol

1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol (PubChem CID 111468204) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
PubChem CID111468204
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)16(20)7-8-17-11-14-3-5-15(6-4-14)19-10-9-18-12-19/h3-6,9-10,12-13,16-17,20H,7-8,11H2,1-2H3
InChIKeyOHFHVFUFZGEHMW-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
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

N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
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
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
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]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 78860403
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol (CID 111468204) is 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol is CC(C)C(O)CCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol?
The InChIKey is OHFHVFUFZGEHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)16(20)7-8-17-11-14-3-5-15(6-4-14)19-10-9-18-12-19/h3-6,9-10,12-13,16-17,20H,7-8,11H2,1-2H3.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol?
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol has a molecular weight of 273.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol is sourced from PubChem (CID 111468204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).