benzimidazol-1-yl(oxolan-2-yl)methanone

C12H12N2O2 — CID 4560119

IUPACbenzimidazol-1-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)n1cnc2ccccc21
InChIInChI=1S/C12H12N2O2/c15-12(11-6-3-7-16-11)14-8-13-9-4-1-2-5-10(9)14/h1-2,4-5,8,11H,3,6-7H2
InChIKeyHDWZIXWMYZQMCC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.86
Rot. Bonds1

About benzimidazol-1-yl(oxolan-2-yl)methanone

benzimidazol-1-yl(oxolan-2-yl)methanone (PubChem CID 4560119) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is benzimidazol-1-yl(oxolan-2-yl)methanone.

Molecular Properties

Compound Namebenzimidazol-1-yl(oxolan-2-yl)methanone
PubChem CID4560119
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namebenzimidazol-1-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)n1cnc2ccccc21
InChIInChI=1S/C12H12N2O2/c15-12(11-6-3-7-16-11)14-8-13-9-4-1-2-5-10(9)14/h1-2,4-5,8,11H,3,6-7H2
InChIKeyHDWZIXWMYZQMCC-UHFFFAOYSA-N
XLogP1.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
CID 35427671
[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 146045298
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300516
4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 18885924
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
CID 55515627
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085
[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 35045548

Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yl(oxolan-2-yl)methanone?
The IUPAC name of benzimidazol-1-yl(oxolan-2-yl)methanone (CID 4560119) is benzimidazol-1-yl(oxolan-2-yl)methanone.
What is the SMILES notation for benzimidazol-1-yl(oxolan-2-yl)methanone?
The canonical SMILES for benzimidazol-1-yl(oxolan-2-yl)methanone is O=C(C1CCCO1)n1cnc2ccccc21.
What is the InChIKey of benzimidazol-1-yl(oxolan-2-yl)methanone?
The InChIKey is HDWZIXWMYZQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(11-6-3-7-16-11)14-8-13-9-4-1-2-5-10(9)14/h1-2,4-5,8,11H,3,6-7H2.
What are the key properties of benzimidazol-1-yl(oxolan-2-yl)methanone?
benzimidazol-1-yl(oxolan-2-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yl(oxolan-2-yl)methanone is sourced from PubChem (CID 4560119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).