2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol

C23H29N3O2 — CID 95142356

IUPAC2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
SMILESC[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2CCOCCO)c1)N(C)C
InChIInChI=1S/C23H29N3O2/c1-18(25(2)3)20-10-7-11-21(16-20)23-22(19-8-5-4-6-9-19)24-17-26(23)12-14-28-15-13-27/h4-11,16-18,27H,12-15H2,1-3H3/t18-/m0/s1
InChIKeyGPTDGYAVNITQNY-SFHVURJKSA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds9

About 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol

2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol (PubChem CID 95142356) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
PubChem CID95142356
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
SMILESC[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2CCOCCO)c1)N(C)C
InChIInChI=1S/C23H29N3O2/c1-18(25(2)3)20-10-7-11-21(16-20)23-22(19-8-5-4-6-9-19)24-17-26(23)12-14-28-15-13-27/h4-11,16-18,27H,12-15H2,1-3H3/t18-/m0/s1
InChIKeyGPTDGYAVNITQNY-SFHVURJKSA-N
XLogP3.85
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[3-[(1R)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]acetamide
CID 95121776
2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95119881
2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95135611
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
4,5-diphenyl-1-propylimidazole
CID 14950648
4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
CID 50970354
1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10179002
2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol
CID 21398049
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10202731
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
2-[5-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-4-phenylimidazol-1-yl]ethanol
CID 50977500

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol (CID 95142356) is 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol is C[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2CCOCCO)c1)N(C)C.
What is the InChIKey of 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The InChIKey is GPTDGYAVNITQNY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(25(2)3)20-10-7-11-21(16-20)23-22(19-8-5-4-6-9-19)24-17-26(23)12-14-28-15-13-27/h4-11,16-18,27H,12-15H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol has a molecular weight of 379.50 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 95142356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).