2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone

C16H18N6O — CID 121164964

IUPAC2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(n2nccn2)CC1
InChIInChI=1S/C16H18N6O/c23-16(11-21-12-17-14-3-1-2-4-15(14)21)20-9-5-13(6-10-20)22-18-7-8-19-22/h1-4,7-8,12-13H,5-6,9-11H2
InChIKeyFDOAYDRFOCISDE-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.49
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 121164964) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
PubChem CID121164964
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(n2nccn2)CC1
InChIInChI=1S/C16H18N6O/c23-16(11-21-12-17-14-3-1-2-4-15(14)21)20-9-5-13(6-10-20)22-18-7-8-19-22/h1-4,7-8,12-13H,5-6,9-11H2
InChIKeyFDOAYDRFOCISDE-UHFFFAOYSA-N
XLogP1.49
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558579
2-(benzimidazol-1-yl)-1-[3-(4-chloropyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 139008660
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825
2-(benzimidazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110106026
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996
5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]pyrazolidine-3-carboxamide
CID 164643695
5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione
CID 45174056
2-(benzimidazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150531
2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 4171967
2-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 91779865
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094
3-(benzimidazol-1-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95893607

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone (CID 121164964) is 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCC(n2nccn2)CC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is FDOAYDRFOCISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(11-21-12-17-14-3-1-2-4-15(14)21)20-9-5-13(6-10-20)22-18-7-8-19-22/h1-4,7-8,12-13H,5-6,9-11H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 310.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121164964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).