2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol

C18H26N2O2 — CID 95119881

IUPAC2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCOCCO
InChIInChI=1S/C18H26N2O2/c1-3-7-15(2)18-17(16-8-5-4-6-9-16)19-14-20(18)10-12-22-13-11-21/h4-6,8-9,14-15,21H,3,7,10-13H2,1-2H3/t15-/m1/s1
InChIKeyQPVXQLRRJZAIFG-OAHLLOKOSA-N
MW302.42 g/mol
LogP3.46
Rot. Bonds9

About 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol

2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol (PubChem CID 95119881) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol
PubChem CID95119881
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCOCCO
InChIInChI=1S/C18H26N2O2/c1-3-7-15(2)18-17(16-8-5-4-6-9-16)19-14-20(18)10-12-22-13-11-21/h4-6,8-9,14-15,21H,3,7,10-13H2,1-2H3/t15-/m1/s1
InChIKeyQPVXQLRRJZAIFG-OAHLLOKOSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
CID 95135192
2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95135611
1-methyl-4-[3-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine
CID 95144049
1-methyl-4-[3-[5-[(2S)-pentan-2-yl]-4-phenylimidazol-1-yl]propoxy]piperidine
CID 95144050
2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95142356
2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol
CID 21398049
4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
CID 50970354
4,5-diphenyl-1-propylimidazole
CID 14950648
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
4-phenyl-1,5-di(propan-2-yl)imidazole
CID 167225252
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol (CID 95119881) is 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol is CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCOCCO.
What is the InChIKey of 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The InChIKey is QPVXQLRRJZAIFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-7-15(2)18-17(16-8-5-4-6-9-16)19-14-20(18)10-12-22-13-11-21/h4-6,8-9,14-15,21H,3,7,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol has a molecular weight of 302.42 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 95119881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).