2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol

C16H22N2O2 — CID 79753249

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
SMILESCCn1c(CC(O)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-2-18-14-6-4-3-5-13(14)17-16(18)11-15(19)12-7-9-20-10-8-12/h3-6,12,15,19H,2,7-11H2,1H3
InChIKeyUXJVFFOYOXGZHR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.39
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol

2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol (PubChem CID 79753249) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
PubChem CID79753249
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
SMILESCCn1c(CC(O)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-2-18-14-6-4-3-5-13(14)17-16(18)11-15(19)12-7-9-20-10-8-12/h3-6,12,15,19H,2,7-11H2,1H3
InChIKeyUXJVFFOYOXGZHR-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanol
CID 115818506

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol (CID 79753249) is 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol is CCn1c(CC(O)C2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
The InChIKey is UXJVFFOYOXGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-18-14-6-4-3-5-13(14)17-16(18)11-15(19)12-7-9-20-10-8-12/h3-6,12,15,19H,2,7-11H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 79753249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).