[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol

C19H21N3O — CID 99858451

IUPAC[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol
SMILESC[C@H](NCc1ccc(CO)cc1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H21N3O/c1-15(21-12-16-5-7-17(13-23)8-6-16)18-3-2-4-19(11-18)22-10-9-20-14-22/h2-11,14-15,21,23H,12-13H2,1H3/t15-/m0/s1
InChIKeyCDOYIJXKGUPJDH-HNNXBMFYSA-N
MW307.40 g/mol
LogP3.22
Rot. Bonds6

About [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol

[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol (PubChem CID 99858451) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol
PubChem CID99858451
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol
SMILESC[C@H](NCc1ccc(CO)cc1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H21N3O/c1-15(21-12-16-5-7-17(13-23)8-6-16)18-3-2-4-19(11-18)22-10-9-20-14-22/h2-11,14-15,21,23H,12-13H2,1H3/t15-/m0/s1
InChIKeyCDOYIJXKGUPJDH-HNNXBMFYSA-N
XLogP3.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
(2S)-1,1,1-trifluoro-3-[[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]amino]propan-2-ol
CID 99858446
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 86806189
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
(1R)-1-(4-imidazol-1-ylphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]ethanamine
CID 95973395
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 75428099
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350

Frequently Asked Questions

What is the IUPAC name of [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol (CID 99858451) is [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol is C[C@H](NCc1ccc(CO)cc1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol?
The InChIKey is CDOYIJXKGUPJDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15(21-12-16-5-7-17(13-23)8-6-16)18-3-2-4-19(11-18)22-10-9-20-14-22/h2-11,14-15,21,23H,12-13H2,1H3/t15-/m0/s1.
What are the key properties of [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol?
[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol has a molecular weight of 307.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 99858451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).