1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol

C17H25N3O — CID 103779743

IUPAC1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)10-17(21)11-19-14(3)15-4-6-16(7-5-15)20-9-8-18-12-20/h4-9,12-14,17,19,21H,10-11H2,1-3H3
InChIKeyGSKYEASTXOLOEP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.93
Rot. Bonds7

About 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol

1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol (PubChem CID 103779743) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
PubChem CID103779743
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)10-17(21)11-19-14(3)15-4-6-16(7-5-15)20-9-8-18-12-20/h4-9,12-14,17,19,21H,10-11H2,1-3H3
InChIKeyGSKYEASTXOLOEP-UHFFFAOYSA-N
XLogP2.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
CID 103787996
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol (CID 103779743) is 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol is CC(C)CC(O)CNC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol?
The InChIKey is GSKYEASTXOLOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)10-17(21)11-19-14(3)15-4-6-16(7-5-15)20-9-8-18-12-20/h4-9,12-14,17,19,21H,10-11H2,1-3H3.
What are the key properties of 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol?
1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol has a molecular weight of 287.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 103779743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).