2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

C16H18N2O2 — CID 79755685

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCn1c(CC(=O)C2CC3CCC2O3)nc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-18-13-5-3-2-4-12(13)17-16(18)9-14(19)11-8-10-6-7-15(11)20-10/h2-5,10-11,15H,6-9H2,1H3
InChIKeyDRIDDWDVMLQHRM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.25
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (PubChem CID 79755685) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
PubChem CID79755685
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCn1c(CC(=O)C2CC3CCC2O3)nc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-18-13-5-3-2-4-12(13)17-16(18)9-14(19)11-8-10-6-7-15(11)20-10/h2-5,10-11,15H,6-9H2,1H3
InChIKeyDRIDDWDVMLQHRM-UHFFFAOYSA-N
XLogP2.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116575970
2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
CID 116547792
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 79819568
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (CID 79755685) is 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is Cn1c(CC(=O)C2CC3CCC2O3)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The InChIKey is DRIDDWDVMLQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-13-5-3-2-4-12(13)17-16(18)9-14(19)11-8-10-6-7-15(11)20-10/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is sourced from PubChem (CID 79755685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).