1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone

C15H18N2O2 — CID 178171699

IUPAC1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
SMILESCCc1nc2ccc(C(C)=O)cc2n1CC1CCO1
InChIInChI=1S/C15H18N2O2/c1-3-15-16-13-5-4-11(10(2)18)8-14(13)17(15)9-12-6-7-19-12/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyRJFBYJSPNACNHG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone

1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone (PubChem CID 178171699) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
PubChem CID178171699
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
SMILESCCc1nc2ccc(C(C)=O)cc2n1CC1CCO1
InChIInChI=1S/C15H18N2O2/c1-3-15-16-13-5-4-11(10(2)18)8-14(13)17(15)9-12-6-7-19-12/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyRJFBYJSPNACNHG-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methylamino]acetate
CID 170270531
2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole
CID 166715649
2-(hydroxymethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 175517363
6-[1-[[6-acetyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 164959637
tert-butyl 2-(chloromethyl)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate
CID 155090497
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294
methyl 3-(oxetan-2-ylmethyl)-2-(piperidin-4-ylmethyl)benzimidazole-5-carboxylate
CID 175442566
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 164601697
methyl 3-(oxetan-2-ylmethyl)-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 175485964
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[(3S)-pyrrolidin-3-yl]methyl]benzimidazole-5-carboxylate
CID 166114178
N-[2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]acetamide
CID 170428209
2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 175792734

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone (CID 178171699) is 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone is CCc1nc2ccc(C(C)=O)cc2n1CC1CCO1.
What is the InChIKey of 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone?
The InChIKey is RJFBYJSPNACNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-15-16-13-5-4-11(10(2)18)8-14(13)17(15)9-12-6-7-19-12/h4-5,8,12H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone?
1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone is sourced from PubChem (CID 178171699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).