1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol

C15H20N2O — CID 66134129

IUPAC1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cncn2CC)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-5-7-13(8-6-12)9-15(18)14-10-16-11-17(14)4-2/h5-8,10-11,15,18H,3-4,9H2,1-2H3
InChIKeyIBZZGQMMBVKEHW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds5

About 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol

1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol (PubChem CID 66134129) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
PubChem CID66134129
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cncn2CC)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-5-7-13(8-6-12)9-15(18)14-10-16-11-17(14)4-2/h5-8,10-11,15,18H,3-4,9H2,1-2H3
InChIKeyIBZZGQMMBVKEHW-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
1-(3-ethylimidazol-4-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 66134538
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516
1-(3-ethylimidazol-4-yl)-4-methoxybutan-1-ol
CID 114852366
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134956

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol (CID 66134129) is 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2cncn2CC)cc1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol?
The InChIKey is IBZZGQMMBVKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-12-5-7-13(8-6-12)9-15(18)14-10-16-11-17(14)4-2/h5-8,10-11,15,18H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol?
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 66134129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).