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

C15H20N2O2 — CID 79753334

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
SMILESCn1c(CC(O)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-17-13-5-3-2-4-12(13)16-15(17)10-14(18)11-6-8-19-9-7-11/h2-5,11,14,18H,6-10H2,1H3
InChIKeyQTKKUPVICJKMIC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.90
Rot. Bonds3

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

2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol (PubChem CID 79753334) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
PubChem CID79753334
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
SMILESCn1c(CC(O)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-17-13-5-3-2-4-12(13)16-15(17)10-14(18)11-6-8-19-9-7-11/h2-5,11,14,18H,6-10H2,1H3
InChIKeyQTKKUPVICJKMIC-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanol
CID 115818506
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622676
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756074
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol (CID 79753334) is 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol is Cn1c(CC(O)C2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
The InChIKey is QTKKUPVICJKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-13-5-3-2-4-12(13)16-15(17)10-14(18)11-6-8-19-9-7-11/h2-5,11,14,18H,6-10H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol?
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol has a molecular weight of 260.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 79753334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).