1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol

C15H18N2O — CID 79752863

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1Cc2ccccc21
InChIInChI=1S/C15H18N2O/c1-2-17-8-7-16-15(17)10-14(18)13-9-11-5-3-4-6-12(11)13/h3-8,13-14,18H,2,9-10H2,1H3
InChIKeyHPFLKKURKUQGHS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.15
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 79752863) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID79752863
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1Cc2ccccc21
InChIInChI=1S/C15H18N2O/c1-2-17-8-7-16-15(17)10-14(18)13-9-11-5-3-4-6-12(11)13/h3-8,13-14,18H,2,9-10H2,1H3
InChIKeyHPFLKKURKUQGHS-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79751984
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752635
2-(1-ethylimidazol-2-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115819256
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 107005397
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756074
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761477
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 106601006
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol (CID 79752863) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is HPFLKKURKUQGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-17-8-7-16-15(17)10-14(18)13-9-11-5-3-4-6-12(11)13/h3-8,13-14,18H,2,9-10H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 79752863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).