1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol

C12H15N3O — CID 104735761

IUPAC1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
SMILESCCn1cncc1C(O)Cc1cccnc1
InChIInChI=1S/C12H15N3O/c1-2-15-9-14-8-11(15)12(16)6-10-4-3-5-13-7-10/h3-5,7-9,12,16H,2,6H2,1H3
InChIKeyAYJFZAVEYYUTEQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds4

About 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol

1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol (PubChem CID 104735761) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
PubChem CID104735761
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
SMILESCCn1cncc1C(O)Cc1cccnc1
InChIInChI=1S/C12H15N3O/c1-2-15-9-14-8-11(15)12(16)6-10-4-3-5-13-7-10/h3-5,7-9,12,16H,2,6H2,1H3
InChIKeyAYJFZAVEYYUTEQ-UHFFFAOYSA-N
XLogP1.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
1-(3-ethylimidazol-4-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 66134538
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
2-(3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131044
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
CID 103142939
(3-ethylimidazol-4-yl)-thiophen-2-ylmethanol
CID 66135577

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol (CID 104735761) is 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol is CCn1cncc1C(O)Cc1cccnc1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol?
The InChIKey is AYJFZAVEYYUTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-15-9-14-8-11(15)12(16)6-10-4-3-5-13-7-10/h3-5,7-9,12,16H,2,6H2,1H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol?
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol has a molecular weight of 217.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 104735761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).