[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone

C17H21N3O2 — CID 126469939

IUPAC[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N3O2/c21-17(15-9-5-11-22-15)20-10-4-3-8-14(20)16-18-12-6-1-2-7-13(12)19-16/h1-2,6-7,14-15H,3-5,8-11H2,(H,18,19)
InChIKeyFYXQJDSXICAMNO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.80
Rot. Bonds2

About [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone

[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 126469939) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID126469939
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N3O2/c21-17(15-9-5-11-22-15)20-10-4-3-8-14(20)16-18-12-6-1-2-7-13(12)19-16/h1-2,6-7,14-15H,3-5,8-11H2,(H,18,19)
InChIKeyFYXQJDSXICAMNO-UHFFFAOYSA-N
XLogP2.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92554910
[(2S)-2-[6-[4-[2-[(2S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 46869079
[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554912
cyclopropyl-[(2S)-2-[6-[2-[2-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 67531327
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 41012818
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
CID 128697477
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone (CID 126469939) is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is FYXQJDSXICAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(15-9-5-11-22-15)20-10-4-3-8-14(20)16-18-12-6-1-2-7-13(12)19-16/h1-2,6-7,14-15H,3-5,8-11H2,(H,18,19).
What are the key properties of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 126469939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).