2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol

C15H21N3O3 — CID 114703016

IUPAC2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol
SMILESCCOc1ccc(OCC)c(-n2cncc2C(N)CO)c1
InChIInChI=1S/C15H21N3O3/c1-3-20-11-5-6-15(21-4-2)13(7-11)18-10-17-8-14(18)12(16)9-19/h5-8,10,12,19H,3-4,9,16H2,1-2H3
InChIKeyPUBNHACHUDYTQG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.66
Rot. Bonds7

About 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol

2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol (PubChem CID 114703016) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol
PubChem CID114703016
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol
SMILESCCOc1ccc(OCC)c(-n2cncc2C(N)CO)c1
InChIInChI=1S/C15H21N3O3/c1-3-20-11-5-6-15(21-4-2)13(7-11)18-10-17-8-14(18)12(16)9-19/h5-8,10,12,19H,3-4,9,16H2,1-2H3
InChIKeyPUBNHACHUDYTQG-UHFFFAOYSA-N
XLogP1.66
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
CID 114705991
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
CID 114703854
1-(2,5-diethoxyphenyl)-3-methylpyrazole
CID 118271097
2-amino-2-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanol
CID 114704452
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol
CID 114704013
2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol
CID 114703009
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
CID 66118611
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol (CID 114703016) is 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol is CCOc1ccc(OCC)c(-n2cncc2C(N)CO)c1.
What is the InChIKey of 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol?
The InChIKey is PUBNHACHUDYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-20-11-5-6-15(21-4-2)13(7-11)18-10-17-8-14(18)12(16)9-19/h5-8,10,12,19H,3-4,9,16H2,1-2H3.
What are the key properties of 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol has a molecular weight of 291.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114703016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).