3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol

C16H23N3O — CID 95549869

IUPAC3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol
SMILESC[C@@H](c1ccc(-c2nccn2CCCO)cc1)N(C)C
InChIInChI=1S/C16H23N3O/c1-13(18(2)3)14-5-7-15(8-6-14)16-17-9-11-19(16)10-4-12-20/h5-9,11,13,20H,4,10,12H2,1-3H3/t13-/m0/s1
InChIKeyUNDGTXBJZWWESJ-ZDUSSCGKSA-N
MW273.38 g/mol
LogP2.56
Rot. Bonds6

About 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol

3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol (PubChem CID 95549869) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol
PubChem CID95549869
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol
SMILESC[C@@H](c1ccc(-c2nccn2CCCO)cc1)N(C)C
InChIInChI=1S/C16H23N3O/c1-13(18(2)3)14-5-7-15(8-6-14)16-17-9-11-19(16)10-4-12-20/h5-9,11,13,20H,4,10,12H2,1-3H3/t13-/m0/s1
InChIKeyUNDGTXBJZWWESJ-ZDUSSCGKSA-N
XLogP2.56
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-3,5-dimethylpyrazol-1-yl]ethanol;formic acid
CID 154923717
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64811969
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 138806845
(2R)-1-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]propan-2-ol
CID 155918021
1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
CID 65277378
4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
CID 65175561
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
CID 82559225
N-[1-(4-chlorophenyl)ethyl]-3-(2-phenylimidazol-1-yl)propan-1-amine;hydrate;dihydrochloride
CID 19429407
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol (CID 95549869) is 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol is C[C@@H](c1ccc(-c2nccn2CCCO)cc1)N(C)C.
What is the InChIKey of 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol?
The InChIKey is UNDGTXBJZWWESJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(18(2)3)14-5-7-15(8-6-14)16-17-9-11-19(16)10-4-12-20/h5-9,11,13,20H,4,10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol?
3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 95549869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).