2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone

C15H19N3O — CID 116547792

IUPAC2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
SMILESCn1c(CC(=O)C2CCCCN2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-13-8-3-2-6-11(13)17-15(18)10-14(19)12-7-4-5-9-16-12/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3
InChIKeyYFJKRZHYXRRXDX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.83
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone

2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone (PubChem CID 116547792) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
PubChem CID116547792
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
SMILESCn1c(CC(=O)C2CCCCN2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-13-8-3-2-6-11(13)17-15(18)10-14(19)12-7-4-5-9-16-12/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3
InChIKeyYFJKRZHYXRRXDX-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116575970
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 79755685
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone (CID 116547792) is 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone is Cn1c(CC(=O)C2CCCCN2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone?
The InChIKey is YFJKRZHYXRRXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-13-8-3-2-6-11(13)17-15(18)10-14(19)12-7-4-5-9-16-12/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone?
2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone has a molecular weight of 257.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).